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 190.4
[M+Na]+ 360.24285 192.7
[M-H]- 336.24635 192.7
[M+NH4]+ 355.28745 205.1
[M+K]+ 376.21679 186.9
[M+H-H2O]+ 320.25089 182.3
[M+HCOO]- 382.25183 207.7
[M+CH3COO]- 396.26748 219.4
[M+Na-2H]- 358.22830 190.9
[M]+ 337.25308 197.1
[M]- 337.25418 197.1
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.