CID 487854

2-hydroxy-5-methyl-cyclohexanecarboxylic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1CCC(C(C1)C(=O)O)O
InChI
InChI=1S/C8H14O3/c1-5-2-3-7(9)6(4-5)8(10)11/h5-7,9H,2-4H2,1H3,(H,10,11)
InChIKey
RTKVUEGGVXTJTB-UHFFFAOYSA-N
Compound name
2-hydroxy-5-methylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 133.4
[M+Na]+ 181.083518 139.1
[M-H]- 157.087024 134.0
[M+NH4]+ 176.128123 153.0
[M+K]+ 197.057458 137.8
[M+H-H2O]+ 141.091560 128.8
[M+HCOO]- 203.092501 150.7
[M+CH3COO]- 217.108151 172.6
[M+Na-2H]- 179.068966 135.6
[M]+ 158.09375142 128.6
[M]- 158.09484858 128.6
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

No patent data available for this compound.