CID 490413

(1r,2r,5s)-2-formyl-1,2-dimethyl-5-[(tetrahydro-2h-pyran-2-yloxy)methyl]cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C15H24O5
SMILES
C[C@]1(CC[C@@H]([C@@]1(C)C(=O)O)COC2CCCCO2)C=O
InChI
InChI=1S/C15H24O5/c1-14(10-16)7-6-11(15(14,2)13(17)18)9-20-12-5-3-4-8-19-12/h10-12H,3-9H2,1-2H3,(H,17,18)/t11-,12?,14+,15+/m1/s1
InChIKey
HLPLSZJNUGOLJE-PYZCBOGGSA-N
Compound name
(1R,2R,5S)-2-formyl-1,2-dimethyl-5-(oxan-2-yloxymethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.16238 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.16966 164.6
[M+Na]+ 307.15160 169.0
[M-H]- 283.15510 169.5
[M+NH4]+ 302.19620 183.6
[M+K]+ 323.12554 168.6
[M+H-H2O]+ 267.15964 160.2
[M+HCOO]- 329.16058 180.1
[M+CH3COO]- 343.17623 195.5
[M+Na-2H]- 305.13705 165.9
[M]+ 284.16183 163.3
[M]- 284.16293 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.