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]+ 243.053096 151.0
[M+Na]+ 265.035038 157.2
[M-H]- 241.038544 152.9
[M+NH4]+ 260.079643 167.6
[M+K]+ 281.008978 153.8
[M+H-H2O]+ 225.043080 145.7
[M+HCOO]- 287.044021 168.8
[M+CH3COO]- 301.059671 192.6
[M+Na-2H]- 263.020486 152.8
[M]+ 242.04527142 150.4
[M]- 242.04636858 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.