CID 237588

5-methyl-1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C4H6N4
SMILES
CC1=CN=NC(=N1)N
InChI
InChI=1S/C4H6N4/c1-3-2-6-8-4(5)7-3/h2H,1H3,(H2,5,7,8)
InChIKey
XJNSJYUPFYNAMU-UHFFFAOYSA-N
Compound name
5-methyl-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

110.05925 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.06653 119.8
[M+Na]+ 133.04847 129.7
[M-H]- 109.05197 119.5
[M+NH4]+ 128.09307 138.4
[M+K]+ 149.02241 128.0
[M+H-H2O]+ 93.056510 112.4
[M+HCOO]- 155.05745 142.5
[M+CH3COO]- 169.07310 169.7
[M+Na-2H]- 131.03392 129.4
[M]+ 110.05870 118.1
[M]- 110.05980 118.1
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