CID 48346

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

Structural Information

Molecular Formula
C13H20ClN
SMILES
CCCCN(CCCl)CC1=CC=CC=C1
InChI
InChI=1S/C13H20ClN/c1-2-3-10-15(11-9-14)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKey
FMNADMXUDLQLET-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-chloroethyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.12843 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.13571 153.5
[M+Na]+ 248.11765 159.2
[M-H]- 224.12115 157.4
[M+NH4]+ 243.16225 172.8
[M+K]+ 264.09159 155.5
[M+H-H2O]+ 208.12569 147.2
[M+HCOO]- 270.12663 173.6
[M+CH3COO]- 284.14228 195.6
[M+Na-2H]- 246.10310 158.4
[M]+ 225.12788 157.3
[M]- 225.12898 157.3
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