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

336
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.