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
2
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]+ 236.091736 151.1
[M+Na]+ 258.073678 156.9
[M-H]- 234.077184 153.1
[M+NH4]+ 253.118283 167.5
[M+K]+ 274.047618 154.7
[M+H-H2O]+ 218.081720 144.5
[M+HCOO]- 280.082661 173.6
[M+CH3COO]- 294.098311 190.6
[M+Na-2H]- 256.059126 154.3
[M]+ 235.08391142 152.1
[M]- 235.08500858 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.