CID 296361

4-amino-2-dimethylamino-1,3,5-triazine

Structural Information

Molecular Formula
C5H9N5
SMILES
CN(C)C1=NC=NC(=N1)N
InChI
InChI=1S/C5H9N5/c1-10(2)5-8-3-7-4(6)9-5/h3H,1-2H3,(H2,6,7,8,9)
InChIKey
MLIWWBOLVXREMI-UHFFFAOYSA-N
Compound name
2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

139.0858 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.093076 127.9
[M+Na]+ 162.075018 136.7
[M-H]- 138.078524 129.1
[M+NH4]+ 157.119623 145.6
[M+K]+ 178.048958 136.0
[M+H-H2O]+ 122.083060 119.7
[M+HCOO]- 184.084001 151.8
[M+CH3COO]- 198.099651 181.1
[M+Na-2H]- 160.060466 136.7
[M]+ 139.08525142 127.1
[M]- 139.08634858 127.1
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