CID 14382720

2-hydroxy-1-methylcyclopentane-1-carboxylic acid

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

13
Patents

144.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 129.8
[M+Na]+ 167.067858 136.8
[M-H]- 143.071364 130.8
[M+NH4]+ 162.112463 153.5
[M+K]+ 183.041798 135.6
[M+H-H2O]+ 127.075900 126.5
[M+HCOO]- 189.076841 149.5
[M+CH3COO]- 203.092491 167.6
[M+Na-2H]- 165.053306 133.2
[M]+ 144.07809142 126.6
[M]- 144.07918858 126.6
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