CID 15158066

(4-chlorobutyl)dimethylamine hydrochloride

Structural Information

Molecular Formula
C6H14ClN
SMILES
CN(C)CCCCCl
InChI
InChI=1S/C6H14ClN/c1-8(2)6-4-3-5-7/h3-6H2,1-2H3
InChIKey
LYHKQHLOZUTVKA-UHFFFAOYSA-N
Compound name
4-chloro-N,N-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

135.08148 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08876 127.0
[M+Na]+ 158.07070 138.3
[M+NH4]+ 153.11530 136.4
[M+K]+ 174.04464 131.5
[M-H]- 134.07420 128.3
[M+Na-2H]- 156.05615 132.3
[M]+ 135.08093 129.2
[M]- 135.08203 129.2
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