CID 11579169

Methyl 6-hydroxycyclohex-1-ene-1-carboxylate

Structural Information

Molecular Formula
C8H12O3
SMILES
COC(=O)C1=CCCCC1O
InChI
InChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h4,7,9H,2-3,5H2,1H3
InChIKey
HWLPTQRYNXLANA-UHFFFAOYSA-N
Compound name
methyl 6-hydroxycyclohexene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

156.07864 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 131.5
[M+Na]+ 179.067858 137.8
[M-H]- 155.071364 133.6
[M+NH4]+ 174.112463 151.8
[M+K]+ 195.041798 137.2
[M+H-H2O]+ 139.075900 126.4
[M+HCOO]- 201.076841 151.9
[M+CH3COO]- 215.092491 172.9
[M+Na-2H]- 177.053306 135.9
[M]+ 156.07809142 129.6
[M]- 156.07918858 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.