CID 14968785

145526-82-5

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1=C(C(=CC=C1)C(=O)O)OCC=C
InChI
InChI=1S/C11H12O3/c1-3-7-14-10-8(2)5-4-6-9(10)11(12)13/h3-6H,1,7H2,2H3,(H,12,13)
InChIKey
NRWYEXJJVOZBNR-UHFFFAOYSA-N
Compound name
3-methyl-2-prop-2-enoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 139.3
[M+Na]+ 215.067858 147.6
[M-H]- 191.071364 142.0
[M+NH4]+ 210.112463 158.5
[M+K]+ 231.041798 145.2
[M+H-H2O]+ 175.075900 133.9
[M+HCOO]- 237.076841 161.9
[M+CH3COO]- 251.092491 182.2
[M+Na-2H]- 213.053306 143.5
[M]+ 192.07809142 141.2
[M]- 192.07918858 141.2
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.