CID 20261004

3-cyclopentyl-2-methylpropanoic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(CC1CCCC1)C(=O)O
InChI
InChI=1S/C9H16O2/c1-7(9(10)11)6-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKey
YOQLLMVFOYOIGG-UHFFFAOYSA-N
Compound name
3-cyclopentyl-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

156.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 137.6
[M+Na]+ 179.104258 142.1
[M-H]- 155.107764 139.1
[M+NH4]+ 174.148863 159.3
[M+K]+ 195.078198 141.3
[M+H-H2O]+ 139.112300 132.6
[M+HCOO]- 201.113241 157.0
[M+CH3COO]- 215.128891 174.4
[M+Na-2H]- 177.089706 138.5
[M]+ 156.11449142 134.3
[M]- 156.11558858 134.3
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