CID 6857961

Diethyl (4-chloropentenyl)amine hydrochloride

Structural Information

Molecular Formula
C9H18ClN
SMILES
CCN(CC)/C=C\CC(C)Cl
InChI
InChI=1S/C9H18ClN/c1-4-11(5-2)8-6-7-9(3)10/h6,8-9H,4-5,7H2,1-3H3/b8-6-
InChIKey
LYWOEMURDOHIEM-VURMDHGXSA-N
Compound name
(Z)-4-chloro-N,N-diethylpent-1-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.11278 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12006 142.1
[M+Na]+ 198.10200 148.3
[M-H]- 174.10550 143.3
[M+NH4]+ 193.14660 163.8
[M+K]+ 214.07594 146.3
[M+H-H2O]+ 158.11004 137.7
[M+HCOO]- 220.11098 161.1
[M+CH3COO]- 234.12663 187.8
[M+Na-2H]- 196.08745 145.3
[M]+ 175.11223 145.4
[M]- 175.11333 145.4
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.