CID 208027

3-allylsalicylic acid methyl ester

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

20
Patents

192.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 141.2
[M+Na]+ 215.06786 153.3
[M+NH4]+ 210.11246 148.4
[M+K]+ 231.04180 147.7
[M-H]- 191.07136 141.9
[M+Na-2H]- 213.05331 146.5
[M]+ 192.07809 142.9
[M]- 192.07919 142.9
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