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 157.2
[M-H]- 241.03854 152.9
[M+NH4]+ 260.07964 167.6
[M+K]+ 281.00898 153.8
[M+H-H2O]+ 225.04308 145.7
[M+HCOO]- 287.04402 168.8
[M+CH3COO]- 301.05967 192.6
[M+Na-2H]- 263.02049 152.8
[M]+ 242.04527 150.4
[M]- 242.04637 150.4
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.