CID 20073018

2-(1-methylcyclopentyl)acetic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(CCCC1)CC(=O)O
InChI
InChI=1S/C8H14O2/c1-8(6-7(9)10)4-2-3-5-8/h2-6H2,1H3,(H,9,10)
InChIKey
ZHQAIBYWBFMHHQ-UHFFFAOYSA-N
Compound name
2-(1-methylcyclopentyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

142.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 132.4
[M+Na]+ 165.08860 141.0
[M+NH4]+ 160.13320 141.9
[M+K]+ 181.06254 136.1
[M-H]- 141.09210 132.5
[M+Na-2H]- 163.07405 137.1
[M]+ 142.09883 133.4
[M]- 142.09993 133.4
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

patents stripe