CID 87163

3-amino-5,6-dimethyl-1,2,4-triazine

Structural Information

Molecular Formula
C5H8N4
SMILES
CC1=C(N=NC(=N1)N)C
InChI
InChI=1S/C5H8N4/c1-3-4(2)8-9-5(6)7-3/h1-2H3,(H2,6,7,9)
InChIKey
UIKGLXJNZXSPGV-UHFFFAOYSA-N
Compound name
5,6-dimethyl-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

467
Patents

124.0749 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.08218 124.7
[M+Na]+ 147.06412 135.1
[M-H]- 123.06762 124.6
[M+NH4]+ 142.10872 143.0
[M+K]+ 163.03806 133.2
[M+H-H2O]+ 107.07216 117.3
[M+HCOO]- 169.07310 147.0
[M+CH3COO]- 183.08875 173.9
[M+Na-2H]- 145.04957 133.0
[M]+ 124.07435 123.7
[M]- 124.07545 123.7
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