CID 67066

119-45-9

Structural Information

Molecular Formula
C12H13NO4
SMILES
C=CCNC(=O)C1=CC=CC=C1OCC(=O)O
InChI
InChI=1S/C12H13NO4/c1-2-7-13-12(16)9-5-3-4-6-10(9)17-8-11(14)15/h2-6H,1,7-8H2,(H,13,16)(H,14,15)
InChIKey
IHBWXJXQXPFUAE-UHFFFAOYSA-N
Compound name
2-[2-(prop-2-enylcarbamoyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08446 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 151.1
[M+Na]+ 258.07368 156.9
[M-H]- 234.07718 153.1
[M+NH4]+ 253.11828 167.5
[M+K]+ 274.04762 154.7
[M+H-H2O]+ 218.08172 144.5
[M+HCOO]- 280.08266 173.6
[M+CH3COO]- 294.09831 190.6
[M+Na-2H]- 256.05913 154.3
[M]+ 235.08391 152.1
[M]- 235.08501 152.1
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

No patent data available for this compound.