CID 138436

1-methylcyclopentanecarboxylic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1(CCCC1)C(=O)O
InChI
InChI=1S/C7H12O2/c1-7(6(8)9)4-2-3-5-7/h2-5H2,1H3,(H,8,9)
InChIKey
MNIBBVOEXUQHFF-UHFFFAOYSA-N
Compound name
1-methylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1170
Patents

128.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 128.0
[M+Na]+ 151.07294 136.8
[M+NH4]+ 146.11754 137.6
[M+K]+ 167.04688 132.1
[M-H]- 127.07644 128.1
[M+Na-2H]- 149.05839 133.0
[M]+ 128.08317 129.1
[M]- 128.08427 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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