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

425
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 148.9
[M+Na]+ 246.07368 153.8
[M-H]- 222.07718 150.8
[M+NH4]+ 241.11828 165.6
[M+K]+ 262.04762 152.9
[M+H-H2O]+ 206.08172 142.3
[M+HCOO]- 268.08266 170.6
[M+CH3COO]- 282.09831 187.5
[M+Na-2H]- 244.05913 152.0
[M]+ 223.08391 149.1
[M]- 223.08501 149.1
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

patents stripe