CID 2306682

3-[(2-methoxyphenyl)formamido]propanoic acid

Structural Information

Molecular Formula
C11H13NO4
SMILES
COC1=CC=CC=C1C(=O)NCCC(=O)O
InChI
InChI=1S/C11H13NO4/c1-16-9-5-3-2-4-8(9)11(15)12-7-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
InChIKey
SAXZUBJYBCFOER-UHFFFAOYSA-N
Compound name
3-[(2-methoxybenzoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

223.08446 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 147.8
[M+Na]+ 246.07368 153.8
[M-H]- 222.07718 150.0
[M+NH4]+ 241.11828 164.9
[M+K]+ 262.04762 152.5
[M+H-H2O]+ 206.08172 141.3
[M+HCOO]- 268.08266 170.5
[M+CH3COO]- 282.09831 188.4
[M+Na-2H]- 244.05913 151.6
[M]+ 223.08391 149.2
[M]- 223.08501 149.2
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

patents stripe