CID 165339241

Dtxsid0052415

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 140.7
[M+Na]+ 215.067858 147.9
[M-H]- 191.071364 143.2
[M+NH4]+ 210.112463 159.7
[M+K]+ 231.041798 146.0
[M+H-H2O]+ 175.075900 135.2
[M+HCOO]- 237.076841 162.3
[M+CH3COO]- 251.092491 180.6
[M+Na-2H]- 213.053306 144.3
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.