CID 10949

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

Structural Information

Molecular Formula
C4H7N5
SMILES
CC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)
InChIKey
NJYZCEFQAIUHSD-UHFFFAOYSA-N
Compound name
6-methyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

20795
Patents

125.070145 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.077421 124.6
[M+Na]+ 148.059363 134.6
[M-H]- 124.062869 124.3
[M+NH4]+ 143.103968 142.2
[M+K]+ 164.033303 132.4
[M+H-H2O]+ 108.067405 117.1
[M+HCOO]- 170.068346 147.7
[M+CH3COO]- 184.083996 175.2
[M+Na-2H]- 146.044811 132.7
[M]+ 125.06959642 121.6
[M]- 125.07069358 121.6
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