CID 79842

Benzeneethanamine, n,n-dibutyl-, hydrochloride

Structural Information

Molecular Formula
C16H27N
SMILES
CCCCN(CCCC)CCC1=CC=CC=C1
InChI
InChI=1S/C16H27N/c1-3-5-13-17(14-6-4-2)15-12-16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3
InChIKey
LEHSOUZQZPUDEC-UHFFFAOYSA-N
Compound name
N-butyl-N-(2-phenylethyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

120
Patents

233.21436 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 160.6
[M+Na]+ 256.20358 164.3
[M-H]- 232.20708 164.2
[M+NH4]+ 251.24818 178.8
[M+K]+ 272.17752 162.0
[M+H-H2O]+ 216.21162 153.1
[M+HCOO]- 278.21256 184.3
[M+CH3COO]- 292.22821 201.0
[M+Na-2H]- 254.18903 164.5
[M]+ 233.21381 163.6
[M]- 233.21491 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe