CID 12209242

Methyl 3-hydroxycyclohexane-1-carboxylate

Structural Information

Molecular Formula
C8H14O3
SMILES
COC(=O)C1CCCC(C1)O
InChI
InChI=1S/C8H14O3/c1-11-8(10)6-3-2-4-7(9)5-6/h6-7,9H,2-5H2,1H3
InChIKey
OXQRLBFDJMSRMM-UHFFFAOYSA-N
Compound name
methyl 3-hydroxycyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

158.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 133.5
[M+Na]+ 181.083518 138.8
[M-H]- 157.087024 135.2
[M+NH4]+ 176.128123 153.6
[M+K]+ 197.057458 138.3
[M+H-H2O]+ 141.091560 128.4
[M+HCOO]- 203.092501 152.4
[M+CH3COO]- 217.108151 173.3
[M+Na-2H]- 179.068966 136.9
[M]+ 158.09375142 130.2
[M]- 158.09484858 130.2
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