CID 246764

2-(2-allylphenoxy)acetic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
C=CCC1=CC=CC=C1OCC(=O)O
InChI
InChI=1S/C11H12O3/c1-2-5-9-6-3-4-7-10(9)14-8-11(12)13/h2-4,6-7H,1,5,8H2,(H,12,13)
InChIKey
REOCVFHCRZMTTR-UHFFFAOYSA-N
Compound name
2-(2-prop-2-enylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

176
Patents

192.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 140.3
[M+Na]+ 215.067858 147.6
[M-H]- 191.071364 142.5
[M+NH4]+ 210.112463 159.1
[M+K]+ 231.041798 145.1
[M+H-H2O]+ 175.075900 134.5
[M+HCOO]- 237.076841 162.8
[M+CH3COO]- 251.092491 181.0
[M+Na-2H]- 213.053306 145.0
[M]+ 192.07809142 141.7
[M]- 192.07918858 141.7
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