CID 3024603

2-allyloxy-m-anisic acid

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1=CC=CC(=C1OCC=C)C(=O)O
InChI
InChI=1S/C11H12O4/c1-3-7-15-10-8(11(12)13)5-4-6-9(10)14-2/h3-6H,1,7H2,2H3,(H,12,13)
InChIKey
YOAIHTMTCQXBPI-UHFFFAOYSA-N
Compound name
3-methoxy-2-prop-2-enoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

208.07356 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe