CID 490415

(1r,2r,5s)-5-({[2,6-dideoxy-3,4-o-(1-methylethylidene)-b-d-ribo-hexopyranosyl]oxy}methyl)-2-formyl-1,2-dimethylcyclopentanecarboxylic acid

Structural Information

Molecular Formula
C19H30O7
SMILES
C[C@@H]1[C@@H]2[C@H](C[C@@H](O1)OC[C@H]3CC[C@@]([C@]3(C)C(=O)O)(C)C=O)OC(O2)(C)C
InChI
InChI=1S/C19H30O7/c1-11-15-13(25-17(2,3)26-15)8-14(24-11)23-9-12-6-7-18(4,10-20)19(12,5)16(21)22/h10-15H,6-9H2,1-5H3,(H,21,22)/t11-,12-,13+,14-,15-,18+,19+/m1/s1
InChIKey
ZLXJUQYTAFMHRO-BPNSTGNWSA-N
Compound name
(1R,2R,5S)-5-[[(3aR,4R,6R,7aS)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxymethyl]-2-formyl-1,2-dimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.19916 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20644 179.3
[M+Na]+ 393.18838 185.8
[M-H]- 369.19188 186.9
[M+NH4]+ 388.23298 197.6
[M+K]+ 409.16232 187.2
[M+H-H2O]+ 353.19642 178.2
[M+HCOO]- 415.19736 190.7
[M+CH3COO]- 429.21301 214.7
[M+Na-2H]- 391.17383 180.8
[M]+ 370.19861 183.7
[M]- 370.19971 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.