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 156.3
[M+Na]+ 242.18792 159.9
[M-H]- 218.19142 158.6
[M+NH4]+ 237.23252 174.3
[M+K]+ 258.16186 156.9
[M+H-H2O]+ 202.19596 149.2
[M+HCOO]- 264.19690 178.8
[M+CH3COO]- 278.21255 195.2
[M+Na-2H]- 240.17337 160.2
[M]+ 219.19815 156.9
[M]- 219.19925 156.9
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.