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

325
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 127.2
[M+Na]+ 151.07294 136.3
[M+NH4]+ 146.11754 135.4
[M+K]+ 167.04688 133.5
[M-H]- 127.07644 127.4
[M+Na-2H]- 149.05839 130.5
[M]+ 128.08317 128.2
[M]- 128.08427 128.2
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

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