CID 235909

(4-allyl-2-methoxyphenoxy)acetic acid

Structural Information

Molecular Formula
C12H14O4
SMILES
COC1=C(C=CC(=C1)CC=C)OCC(=O)O
InChI
InChI=1S/C12H14O4/c1-3-4-9-5-6-10(11(7-9)15-2)16-8-12(13)14/h3,5-7H,1,4,8H2,2H3,(H,13,14)
InChIKey
FQBPCNCFOCPCJP-UHFFFAOYSA-N
Compound name
2-(2-methoxy-4-prop-2-enylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

47
Patents

222.0892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 147.0
[M+Na]+ 245.078418 154.7
[M-H]- 221.081924 149.5
[M+NH4]+ 240.123023 164.9
[M+K]+ 261.052358 152.6
[M+H-H2O]+ 205.086460 141.1
[M+HCOO]- 267.087401 169.4
[M+CH3COO]- 281.103051 187.3
[M+Na-2H]- 243.063866 150.6
[M]+ 222.08865142 150.7
[M]- 222.08974858 150.7
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