CID 14381285

2-propylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CCCC1CCCC1C(=O)O
InChI
InChI=1S/C9H16O2/c1-2-4-7-5-3-6-8(7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChIKey
JUMCIIRECKFOCL-UHFFFAOYSA-N
Compound name
2-propylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 136.3
[M+Na]+ 179.10426 142.0
[M-H]- 155.10776 138.0
[M+NH4]+ 174.14886 158.3
[M+K]+ 195.07820 140.7
[M+H-H2O]+ 139.11230 131.5
[M+HCOO]- 201.11324 156.7
[M+CH3COO]- 215.12889 174.6
[M+Na-2H]- 177.08971 137.8
[M]+ 156.11449 134.0
[M]- 156.11559 134.0
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.