CID 17838841

6-chlorohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H14ClN
SMILES
C(CCCCl)CCN
InChI
InChI=1S/C6H14ClN/c7-5-3-1-2-4-6-8/h1-6,8H2
InChIKey
XUVUONUBXHYGCD-UHFFFAOYSA-N
Compound name
6-chlorohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

301
Patents

135.08148 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08876 129.5
[M+Na]+ 158.07070 136.6
[M-H]- 134.07420 128.9
[M+NH4]+ 153.11530 151.8
[M+K]+ 174.04464 133.7
[M+H-H2O]+ 118.07874 125.7
[M+HCOO]- 180.07968 149.1
[M+CH3COO]- 194.09533 175.2
[M+Na-2H]- 156.05615 135.2
[M]+ 135.08093 130.6
[M]- 135.08203 130.6
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