CID 208027

31456-98-1

Structural Information

Molecular Formula
C11H12O3
SMILES
COC(=O)C1=CC=CC(=C1O)CC=C
InChI
InChI=1S/C11H12O3/c1-3-5-8-6-4-7-9(10(8)12)11(13)14-2/h3-4,6-7,12H,1,5H2,2H3
InChIKey
BRFCIUCUICKZFD-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-3-prop-2-enylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

192.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 139.6
[M+Na]+ 215.067858 147.9
[M-H]- 191.071364 142.3
[M+NH4]+ 210.112463 158.8
[M+K]+ 231.041798 145.5
[M+H-H2O]+ 175.075900 134.2
[M+HCOO]- 237.076841 162.1
[M+CH3COO]- 251.092491 181.5
[M+Na-2H]- 213.053306 143.7
[M]+ 192.07809142 141.4
[M]- 192.07918858 141.4
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