CID 29060044

(3r)-3-amino-3-(3-chlorophenyl)propanamide hydrochloride

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
C1=CC(=CC(=C1)Cl)[C@@H](CC(=O)N)N
InChI
InChI=1S/C9H11ClN2O/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H2,12,13)/t8-/m1/s1
InChIKey
RTPKAWXRWXENEJ-MRVPVSSYSA-N
Compound name
(3R)-3-amino-3-(3-chlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

198.05598 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06326 142.3
[M+Na]+ 221.04520 149.5
[M-H]- 197.04870 145.0
[M+NH4]+ 216.08980 161.3
[M+K]+ 237.01914 145.6
[M+H-H2O]+ 181.05324 137.2
[M+HCOO]- 243.05418 161.6
[M+CH3COO]- 257.06983 187.7
[M+Na-2H]- 219.03065 145.2
[M]+ 198.05543 140.6
[M]- 198.05653 140.6
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