CID 3783103

39773-45-0

Structural Information

Molecular Formula
C10H11ClN2O3
SMILES
C1=CC(=CC=C1C(CC(=O)O)NC(=O)N)Cl
InChI
InChI=1S/C10H11ClN2O3/c11-7-3-1-6(2-4-7)8(5-9(14)15)13-10(12)16/h1-4,8H,5H2,(H,14,15)(H3,12,13,16)
InChIKey
WOSVIUFZAGUVTB-UHFFFAOYSA-N
Compound name
3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

242.04582 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05310 151.0
[M+Na]+ 265.03504 160.1
[M+NH4]+ 260.07964 157.0
[M+K]+ 281.00898 156.3
[M-H]- 241.03854 151.4
[M+Na-2H]- 263.02049 154.8
[M]+ 242.04527 152.1
[M]- 242.04637 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

literature stripe

Patent stripe

No patent data available for this compound.