CID 3049639

N-2-chloroethyl-n-ethylbutylamine hydrochloride

Structural Information

Molecular Formula
C8H18ClN
SMILES
CCCCN(CC)CCCl
InChI
InChI=1S/C8H18ClN/c1-3-5-7-10(4-2)8-6-9/h3-8H2,1-2H3
InChIKey
QRUAKGBEASXDQY-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

163.11278 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.12006 138.4
[M+Na]+ 186.10200 144.9
[M-H]- 162.10550 139.6
[M+NH4]+ 181.14660 160.6
[M+K]+ 202.07594 143.3
[M+H-H2O]+ 146.11004 134.0
[M+HCOO]- 208.11098 158.5
[M+CH3COO]- 222.12663 185.6
[M+Na-2H]- 184.08745 143.4
[M]+ 163.11223 142.7
[M]- 163.11333 142.7
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

patents stripe