CID 20646

N-(2-chloroethyl)dipropylamine hydrochloride

Structural Information

Molecular Formula
C8H18ClN
SMILES
CCCN(CCC)CCCl
InChI
InChI=1S/C8H18ClN/c1-3-6-10(7-4-2)8-5-9/h3-8H2,1-2H3
InChIKey
QKWHKHPUGFKVCP-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-propylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

163.11278 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.12006 138.4
[M+Na]+ 186.10200 144.9
[M-H]- 162.10550 139.6
[M+NH4]+ 181.14660 160.6
[M+K]+ 202.07594 143.3
[M+H-H2O]+ 146.11004 134.0
[M+HCOO]- 208.11098 158.5
[M+CH3COO]- 222.12663 185.6
[M+Na-2H]- 184.08745 143.4
[M]+ 163.11223 142.7
[M]- 163.11333 142.7
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

patents stripe