CID 13628

6-ethyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C5H9N5
SMILES
CCC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C5H9N5/c1-2-3-8-4(6)10-5(7)9-3/h2H2,1H3,(H4,6,7,8,9,10)
InChIKey
NAMCDLUESQLMOZ-UHFFFAOYSA-N
Compound name
6-ethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1199
Patents

139.0858 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.09308 129.0
[M+Na]+ 162.07502 138.6
[M-H]- 138.07852 128.5
[M+NH4]+ 157.11962 146.1
[M+K]+ 178.04896 136.2
[M+H-H2O]+ 122.08306 121.3
[M+HCOO]- 184.08400 151.8
[M+CH3COO]- 198.09965 178.3
[M+Na-2H]- 160.06047 136.6
[M]+ 139.08525 126.3
[M]- 139.08635 126.3
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