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

158
Patents

158.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 133.5
[M+Na]+ 181.08352 138.8
[M-H]- 157.08702 135.2
[M+NH4]+ 176.12812 153.6
[M+K]+ 197.05746 138.3
[M+H-H2O]+ 141.09156 128.4
[M+HCOO]- 203.09250 152.4
[M+CH3COO]- 217.10815 173.3
[M+Na-2H]- 179.06897 136.9
[M]+ 158.09375 130.2
[M]- 158.09485 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