CID 48356

Benzylamine, n-(2-chloroethyl)-n-heptyl-, hydrochloride

Structural Information

Molecular Formula
C16H26ClN
SMILES
CCCCCCCN(CCCl)CC1=CC=CC=C1
InChI
InChI=1S/C16H26ClN/c1-2-3-4-5-9-13-18(14-12-17)15-16-10-7-6-8-11-16/h6-8,10-11H,2-5,9,12-15H2,1H3
InChIKey
ZEBKOZHGQXRGRQ-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-chloroethyl)heptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.17538 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.18266 166.2
[M+Na]+ 290.16460 178.5
[M+NH4]+ 285.20920 175.3
[M+K]+ 306.13854 168.7
[M-H]- 266.16810 169.9
[M+Na-2H]- 288.15005 173.1
[M]+ 267.17483 169.4
[M]- 267.17593 169.4
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.