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

27
Patents

222.0892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 148.5
[M+Na]+ 245.07842 159.9
[M+NH4]+ 240.12302 154.9
[M+K]+ 261.05236 154.6
[M-H]- 221.08192 148.6
[M+Na-2H]- 243.06387 153.0
[M]+ 222.08865 149.9
[M]- 222.08975 149.9
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