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

5
Patents

198.05598 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.063256 142.3
[M+Na]+ 221.045198 149.5
[M-H]- 197.048704 145.0
[M+NH4]+ 216.089803 161.3
[M+K]+ 237.019138 145.6
[M+H-H2O]+ 181.053240 137.2
[M+HCOO]- 243.054181 161.6
[M+CH3COO]- 257.069831 187.7
[M+Na-2H]- 219.030646 145.2
[M]+ 198.05543142 140.6
[M]- 198.05652858 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