CID 40670

N-(2-propyl)pentylbenzylamine hydrochloride

Structural Information

Molecular Formula
C15H25N
SMILES
CCCC(CCC)CNCC1=CC=CC=C1
InChI
InChI=1S/C15H25N/c1-3-8-14(9-4-2)12-16-13-15-10-6-5-7-11-15/h5-7,10-11,14,16H,3-4,8-9,12-13H2,1-2H3
InChIKey
KQHCABMGQBGDDJ-UHFFFAOYSA-N
Compound name
N-benzyl-2-propylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.1987 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.20598 156.1
[M+Na]+ 242.18792 167.3
[M+NH4]+ 237.23252 164.7
[M+K]+ 258.16186 158.9
[M-H]- 218.19142 159.4
[M+Na-2H]- 240.17337 162.6
[M]+ 219.19815 158.6
[M]- 219.19925 158.6
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.