CID 116611

1,4-benzenediamine, n1,n1,n4-tris(1-methylpropyl)-

Structural Information

Molecular Formula
C18H32N2
SMILES
CCC(C)NC1=CC=C(C=C1)N(C(C)CC)C(C)CC
InChI
InChI=1S/C18H32N2/c1-7-14(4)19-17-10-12-18(13-11-17)20(15(5)8-2)16(6)9-3/h10-16,19H,7-9H2,1-6H3
InChIKey
QPTPXMZPICHZRY-UHFFFAOYSA-N
Compound name
1-N,4-N,4-N-tri(butan-2-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

276.25656 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.26384 174.9
[M+Na]+ 299.24578 177.1
[M-H]- 275.24928 178.7
[M+NH4]+ 294.29038 191.1
[M+K]+ 315.21972 175.8
[M+H-H2O]+ 259.25382 167.1
[M+HCOO]- 321.25476 195.9
[M+CH3COO]- 335.27041 215.5
[M+Na-2H]- 297.23123 173.5
[M]+ 276.25601 176.3
[M]- 276.25711 176.3
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