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]+ 157.122316 136.3
[M+Na]+ 179.104258 142.0
[M-H]- 155.107764 138.0
[M+NH4]+ 174.148863 158.3
[M+K]+ 195.078198 140.7
[M+H-H2O]+ 139.112300 131.5
[M+HCOO]- 201.113241 156.7
[M+CH3COO]- 215.128891 174.6
[M+Na-2H]- 177.089706 137.8
[M]+ 156.11449142 134.0
[M]- 156.11558858 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.