CID 71768113

4-o-(beta-l-araf)-cis-l-hyp

Structural Information

Molecular Formula
C10H17NO7
SMILES
C1[C@@H](CN[C@@H]1C(=O)O)O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O
InChI
InChI=1S/C10H17NO7/c12-3-6-7(13)8(14)10(18-6)17-4-1-5(9(15)16)11-2-4/h4-8,10-14H,1-3H2,(H,15,16)/t4-,5-,6-,7-,8+,10-/m0/s1
InChIKey
ABCIYWCIWZHVKW-BFZMHJHUSA-N
Compound name
(2S,4S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1005 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.107776 156.2
[M+Na]+ 286.089718 160.5
[M-H]- 262.093224 155.5
[M+NH4]+ 281.134323 169.8
[M+K]+ 302.063658 159.3
[M+H-H2O]+ 246.097760 151.2
[M+HCOO]- 308.098701 168.1
[M+CH3COO]- 322.114351 183.1
[M+Na-2H]- 284.075166 153.1
[M]+ 263.09995142 151.9
[M]- 263.10104858 151.9
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

patents stripe