CID 3434497

2-chloro-n-[4-(dimethylamino)phenyl]propanamide hydrochloride

Structural Information

Molecular Formula
C11H15ClN2O
SMILES
CC(C(=O)NC1=CC=C(C=C1)N(C)C)Cl
InChI
InChI=1S/C11H15ClN2O/c1-8(12)11(15)13-9-4-6-10(7-5-9)14(2)3/h4-8H,1-3H3,(H,13,15)
InChIKey
OAIDFHBXMANHNY-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(dimethylamino)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0873 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09458 150.7
[M+Na]+ 249.07652 157.3
[M-H]- 225.08002 155.7
[M+NH4]+ 244.12112 169.9
[M+K]+ 265.05046 155.0
[M+H-H2O]+ 209.08456 145.0
[M+HCOO]- 271.08550 171.1
[M+CH3COO]- 285.10115 197.7
[M+Na-2H]- 247.06197 153.9
[M]+ 226.08675 153.0
[M]- 226.08785 153.0
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