CID 27778

16268-92-1

Structural Information

Molecular Formula
C9H18N6
SMILES
CCNC1=NC(=NC(=N1)NCC)NCC
InChI
InChI=1S/C9H18N6/c1-4-10-7-13-8(11-5-2)15-9(14-7)12-6-3/h4-6H2,1-3H3,(H3,10,11,12,13,14,15)
InChIKey
LNCCBHFAHILMCT-UHFFFAOYSA-N
Compound name
2-N,4-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1036
Patents

210.1593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.166576 149.2
[M+Na]+ 233.148518 156.1
[M-H]- 209.152024 149.1
[M+NH4]+ 228.193123 163.6
[M+K]+ 249.122458 153.4
[M+H-H2O]+ 193.156560 140.1
[M+HCOO]- 255.157501 172.9
[M+CH3COO]- 269.173151 196.8
[M+Na-2H]- 231.133966 157.3
[M]+ 210.15875142 149.3
[M]- 210.15984858 149.3
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