CID 49629

Hexylamine, n-(2-chloroethyl)-n-ethyl-, hydrochloride

Structural Information

Molecular Formula
C10H22ClN
SMILES
CCCCCCN(CC)CCCl
InChI
InChI=1S/C10H22ClN/c1-3-5-6-7-9-12(4-2)10-8-11/h3-10H2,1-2H3
InChIKey
VJDYLDBJFJHTBS-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.14407 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.15135 147.8
[M+Na]+ 214.13329 153.4
[M-H]- 190.13679 148.6
[M+NH4]+ 209.17789 168.8
[M+K]+ 230.10723 151.3
[M+H-H2O]+ 174.14133 142.9
[M+HCOO]- 236.14227 167.2
[M+CH3COO]- 250.15792 191.6
[M+Na-2H]- 212.11874 151.6
[M]+ 191.14352 152.8
[M]- 191.14462 152.8
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

No patent data available for this compound.