CID 3084653

Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-

Structural Information

Molecular Formula
C12H20O3
SMILES
CCCCCC[C@H]1[C@@H](CCC1=O)C(=O)O
InChI
InChI=1S/C12H20O3/c1-2-3-4-5-6-9-10(12(14)15)7-8-11(9)13/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10+/m0/s1
InChIKey
DJAOIPLLYKPHJI-VHSXEESVSA-N
Compound name
(1R,2S)-2-hexyl-3-oxocyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

212.14125 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 151.1
[M+Na]+ 235.13047 159.0
[M+NH4]+ 230.17507 157.6
[M+K]+ 251.10441 155.8
[M-H]- 211.13397 150.3
[M+Na-2H]- 233.11592 152.2
[M]+ 212.14070 151.5
[M]- 212.14180 151.5
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.