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

408
Patents

223.08446 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 148.9
[M+Na]+ 246.073678 153.8
[M-H]- 222.077184 150.8
[M+NH4]+ 241.118283 165.6
[M+K]+ 262.047618 152.9
[M+H-H2O]+ 206.081720 142.3
[M+HCOO]- 268.082661 170.6
[M+CH3COO]- 282.098311 187.5
[M+Na-2H]- 244.059126 152.0
[M]+ 223.08391142 149.1
[M]- 223.08500858 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