CID 14382720

1354427-64-7

Structural Information

Molecular Formula
C7H12O3
SMILES
CC1(CCCC1O)C(=O)O
InChI
InChI=1S/C7H12O3/c1-7(6(9)10)4-2-3-5(7)8/h5,8H,2-4H2,1H3,(H,9,10)
InChIKey
CXTIHRQTCGOZRS-UHFFFAOYSA-N
Compound name
2-hydroxy-1-methylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

144.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 130.4
[M+Na]+ 167.06786 138.6
[M+NH4]+ 162.11246 139.1
[M+K]+ 183.04180 135.0
[M-H]- 143.07136 129.5
[M+Na-2H]- 165.05331 134.2
[M]+ 144.07809 131.0
[M]- 144.07919 131.0
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