CID 48348

N-(2-chloroethyl)-n-dodecylbenzylamine hydrochloride

Structural Information

Molecular Formula
C21H36ClN
SMILES
CCCCCCCCCCCCN(CCCl)CC1=CC=CC=C1
InChI
InChI=1S/C21H36ClN/c1-2-3-4-5-6-7-8-9-10-14-18-23(19-17-22)20-21-15-12-11-13-16-21/h11-13,15-16H,2-10,14,17-20H2,1H3
InChIKey
OALUNQAWADFCGV-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-chloroethyl)dodecan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.25363 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.26091 189.0
[M+Na]+ 360.24285 200.2
[M+NH4]+ 355.28745 197.1
[M+K]+ 376.21679 189.2
[M-H]- 336.24635 192.5
[M+Na-2H]- 358.22830 194.5
[M]+ 337.25308 191.9
[M]- 337.25418 191.9
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.