CID 7589

101-96-2

Structural Information

Molecular Formula
C14H24N2
SMILES
CCC(C)NC1=CC=C(C=C1)NC(C)CC
InChI
InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3
InChIKey
FSWDLYNGJBGFJH-UHFFFAOYSA-N
Compound name
1-N,4-N-di(butan-2-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

13885
Patents

220.19395 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.201226 156.0
[M+Na]+ 243.183168 159.9
[M-H]- 219.186674 159.0
[M+NH4]+ 238.227773 173.9
[M+K]+ 259.157108 157.7
[M+H-H2O]+ 203.191210 149.0
[M+HCOO]- 265.192151 178.9
[M+CH3COO]- 279.207801 199.1
[M+Na-2H]- 241.168616 158.8
[M]+ 220.19340142 155.3
[M]- 220.19449858 155.3
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