CID 6454574

63302-43-2

Structural Information

Molecular Formula
C13H22N2
SMILES
CC(C)CCC(C)NC1=CC=C(C=C1)N
InChI
InChI=1S/C13H22N2/c1-10(2)4-5-11(3)15-13-8-6-12(14)7-9-13/h6-11,15H,4-5,14H2,1-3H3
InChIKey
MDDXGELKFXXQDP-UHFFFAOYSA-N
Compound name
4-N-(5-methylhexan-2-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1139
Patents

206.1783 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.18558 151.4
[M+Na]+ 229.16752 161.3
[M+NH4]+ 224.21212 159.5
[M+K]+ 245.14146 155.1
[M-H]- 205.17102 154.6
[M+Na-2H]- 227.15297 157.0
[M]+ 206.17775 153.5
[M]- 206.17885 153.5
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