CID 734627

2-{2-methoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}acetic acid

Structural Information

Molecular Formula
C12H14O4
SMILES
C/C=C/C1=CC(=C(C=C1)OCC(=O)O)OC
InChI
InChI=1S/C12H14O4/c1-3-4-9-5-6-10(11(7-9)15-2)16-8-12(13)14/h3-7H,8H2,1-2H3,(H,13,14)/b4-3+
InChIKey
UORQJKKOBXSGRG-ONEGZZNKSA-N
Compound name
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

222.0892 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 147.2
[M+Na]+ 245.078418 155.0
[M-H]- 221.081924 149.7
[M+NH4]+ 240.123023 165.2
[M+K]+ 261.052358 153.0
[M+H-H2O]+ 205.086460 141.3
[M+HCOO]- 267.087401 169.6
[M+CH3COO]- 281.103051 186.7
[M+Na-2H]- 243.063866 150.9
[M]+ 222.08865142 150.8
[M]- 222.08974858 150.8
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

No patent data available for this compound.