CID 13239206

3-methylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1CCC(C1)C(=O)O
InChI
InChI=1S/C7H12O2/c1-5-2-3-6(4-5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
LHJUMZACQNBHRC-UHFFFAOYSA-N
Compound name
3-methylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

347
Patents

128.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.0
[M+Na]+ 151.07294 133.5
[M-H]- 127.07644 129.1
[M+NH4]+ 146.11754 150.1
[M+K]+ 167.04688 132.7
[M+H-H2O]+ 111.08098 122.5
[M+HCOO]- 173.08192 148.0
[M+CH3COO]- 187.09757 168.6
[M+Na-2H]- 149.05839 129.5
[M]+ 128.08317 123.9
[M]- 128.08427 123.9
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

patents stripe