CID 197831

N2-butyl-1,3,5-triazine-2,4,6-triamine

Structural Information

Molecular Formula
C7H14N6
SMILES
CCCCNC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C7H14N6/c1-2-3-4-10-7-12-5(8)11-6(9)13-7/h2-4H2,1H3,(H5,8,9,10,11,12,13)
InChIKey
CVKGSDYWCFQOKU-UHFFFAOYSA-N
Compound name
2-N-butyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1366
Patents

182.12799 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.135266 140.7
[M+Na]+ 205.117208 148.6
[M-H]- 181.120714 140.0
[M+NH4]+ 200.161813 155.7
[M+K]+ 221.091148 145.7
[M+H-H2O]+ 165.125250 132.2
[M+HCOO]- 227.126191 163.9
[M+CH3COO]- 241.141841 189.6
[M+Na-2H]- 203.102656 147.8
[M]+ 182.12744142 138.1
[M]- 182.12853858 138.1
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