CID 12383293

2-(3-methylcyclopentyl)acetic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1CCC(C1)CC(=O)O
InChI
InChI=1S/C8H14O2/c1-6-2-3-7(4-6)5-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
BXPUDAKSSKGBHP-UHFFFAOYSA-N
Compound name
2-(3-methylcyclopentyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

142.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.6
[M+Na]+ 165.08860 137.8
[M-H]- 141.09210 133.5
[M+NH4]+ 160.13320 154.2
[M+K]+ 181.06254 136.7
[M+H-H2O]+ 125.09664 127.0
[M+HCOO]- 187.09758 152.4
[M+CH3COO]- 201.11323 171.6
[M+Na-2H]- 163.07405 133.7
[M]+ 142.09883 128.9
[M]- 142.09993 128.9
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