CID 114532

1,2-benzenediamine, n,n'-bis(1-methylpropyl)-

Structural Information

Molecular Formula
C14H24N2
SMILES
CCC(C)NC1=CC=CC=C1NC(C)CC
InChI
InChI=1S/C14H24N2/c1-5-11(3)15-13-9-7-8-10-14(13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3
InChIKey
ZGDGVGVOFIGJIE-UHFFFAOYSA-N
Compound name
1-N,2-N-di(butan-2-yl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1220
Patents

220.19395 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.20123 156.0
[M+Na]+ 243.18317 159.9
[M-H]- 219.18667 159.0
[M+NH4]+ 238.22777 173.9
[M+K]+ 259.15711 157.7
[M+H-H2O]+ 203.19121 149.0
[M+HCOO]- 265.19215 178.9
[M+CH3COO]- 279.20780 199.1
[M+Na-2H]- 241.16862 158.8
[M]+ 220.19340 155.3
[M]- 220.19450 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

No literature data available for this compound.

Patent stripe

patents stripe