CID 3020842

85614-43-3

Structural Information

Molecular Formula
C12H14O4
SMILES
COC1=CC(=CC(=C1O)C(=O)OC)CC=C
InChI
InChI=1S/C12H14O4/c1-4-5-8-6-9(12(14)16-3)11(13)10(7-8)15-2/h4,6-7,13H,1,5H2,2-3H3
InChIKey
LYSUGZLJKRSLHM-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

51
Patents

222.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 146.3
[M+Na]+ 245.078418 155.0
[M-H]- 221.081924 149.2
[M+NH4]+ 240.123023 164.6
[M+K]+ 261.052358 153.0
[M+H-H2O]+ 205.086460 140.7
[M+HCOO]- 267.087401 168.7
[M+CH3COO]- 281.103051 187.9
[M+Na-2H]- 243.063866 149.3
[M]+ 222.08865142 150.3
[M]- 222.08974858 150.3
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

patents stripe