CID 22713

N-(2-chloroethyl)benzylamine hydrochloride

Structural Information

Molecular Formula
C9H12ClN
SMILES
C1=CC=C(C=C1)CNCCCl
InChI
InChI=1S/C9H12ClN/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKey
XTXGPBAONFJRNO-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

169.06583 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 134.1
[M+Na]+ 192.05505 147.7
[M+NH4]+ 187.09965 144.1
[M+K]+ 208.02899 139.1
[M-H]- 168.05855 137.8
[M+Na-2H]- 190.04050 142.8
[M]+ 169.06528 137.4
[M]- 169.06638 137.4
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