CID 48360

Benzylamine, n-(2-chloroethyl)-n-(2-(2-methoxyethoxy)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C14H22ClNO2
SMILES
COCCOCCN(CCCl)CC1=CC=CC=C1
InChI
InChI=1S/C14H22ClNO2/c1-17-11-12-18-10-9-16(8-7-15)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKey
PCXDWBKGUORWSP-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-chloroethyl)-2-(2-methoxyethoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1339 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14118 163.9
[M+Na]+ 294.12312 169.1
[M-H]- 270.12662 167.6
[M+NH4]+ 289.16772 181.3
[M+K]+ 310.09706 166.3
[M+H-H2O]+ 254.13116 157.0
[M+HCOO]- 316.13210 184.2
[M+CH3COO]- 330.14775 202.4
[M+Na-2H]- 292.10857 168.4
[M]+ 271.13335 171.0
[M]- 271.13445 171.0
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.