CID 6462215

3-methoxy-4-(prop-2-en-1-yloxy)benzoic acid

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1=C(C=CC(=C1)C(=O)O)OCC=C
InChI
InChI=1S/C11H12O4/c1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h3-5,7H,1,6H2,2H3,(H,12,13)
InChIKey
JAQPASQMIRCHIU-UHFFFAOYSA-N
Compound name
3-methoxy-4-prop-2-enoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

208.07356 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 142.3
[M+Na]+ 231.062778 150.4
[M-H]- 207.066284 145.0
[M+NH4]+ 226.107383 160.7
[M+K]+ 247.036718 148.6
[M+H-H2O]+ 191.070820 136.6
[M+HCOO]- 253.071761 165.0
[M+CH3COO]- 267.087411 184.3
[M+Na-2H]- 229.048226 146.5
[M]+ 208.07301142 145.6
[M]- 208.07410858 145.6
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