CID 79842

14180-18-8

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

112
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 160.2
[M+Na]+ 256.20358 171.7
[M+NH4]+ 251.24818 169.0
[M+K]+ 272.17752 162.7
[M-H]- 232.20708 163.9
[M+Na-2H]- 254.18903 167.1
[M]+ 233.21381 162.9
[M]- 233.21491 162.9
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