CID 54592703

(1-amino-4-methylpentan-2-yl)(1-phenylethyl)amine

Structural Information

Molecular Formula
C14H24N2
SMILES
CC(C)CC(CN)NC(C)C1=CC=CC=C1
InChI
InChI=1S/C14H24N2/c1-11(2)9-14(10-15)16-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10,15H2,1-3H3
InChIKey
KKVIPCWNLAUNJZ-UHFFFAOYSA-N
Compound name
4-methyl-2-N-(1-phenylethyl)pentane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.19395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.20123 157.2
[M+Na]+ 243.18317 160.0
[M-H]- 219.18667 159.4
[M+NH4]+ 238.22777 174.5
[M+K]+ 259.15711 157.9
[M+H-H2O]+ 203.19121 150.1
[M+HCOO]- 265.19215 178.5
[M+CH3COO]- 279.20780 198.2
[M+Na-2H]- 241.16862 158.4
[M]+ 220.19340 154.5
[M]- 220.19450 154.5
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.