CID 11790810

2-[(methoxycarbonyl)amino]-3-phenylpropanoic acid

Structural Information

Molecular Formula
C11H13NO4
SMILES
COC(=O)NC(CC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C11H13NO4/c1-16-11(15)12-9(10(13)14)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,15)(H,13,14)
InChIKey
QGICDLYPUUZBIV-UHFFFAOYSA-N
Compound name
2-(methoxycarbonylamino)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

407
Patents

223.08446 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 149.3
[M+Na]+ 246.07368 158.1
[M+NH4]+ 241.11828 155.0
[M+K]+ 262.04762 154.7
[M-H]- 222.07718 149.0
[M+Na-2H]- 244.05913 153.3
[M]+ 223.08391 150.0
[M]- 223.08501 150.0
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