CID 138987561

Methyl 1-formylcyclohex-3-ene-1-carboxylate

Structural Information

Molecular Formula
C9H12O3
SMILES
COC(=O)C1(CCC=CC1)C=O
InChI
InChI=1S/C9H12O3/c1-12-8(11)9(7-10)5-3-2-4-6-9/h2-3,7H,4-6H2,1H3
InChIKey
LEYRYSALGQSTPY-UHFFFAOYSA-N
Compound name
methyl 1-formylcyclohex-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07864 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 134.4
[M+Na]+ 191.06786 141.0
[M-H]- 167.07136 137.8
[M+NH4]+ 186.11246 156.6
[M+K]+ 207.04180 140.7
[M+H-H2O]+ 151.07590 129.6
[M+HCOO]- 213.07684 156.2
[M+CH3COO]- 227.09249 176.0
[M+Na-2H]- 189.05331 140.7
[M]+ 168.07809 134.0
[M]- 168.07919 134.0
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.