CID 70715

1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C3H4N4
SMILES
C1=CN=NC(=N1)N
InChI
InChI=1S/C3H4N4/c4-3-5-1-2-6-7-3/h1-2H,(H2,4,5,7)
InChIKey
MJIWQHRXSLOUJN-UHFFFAOYSA-N
Compound name
1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

1435
Patents

96.043594 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.050870 114.9
[M+Na]+ 119.03281 124.2
[M-H]- 95.036318 114.3
[M+NH4]+ 114.07742 133.6
[M+K]+ 135.00675 122.8
[M+H-H2O]+ 79.040854 107.3
[M+HCOO]- 141.04180 137.8
[M+CH3COO]- 155.05744 165.6
[M+Na-2H]- 117.01826 125.8
[M]+ 96.043045 112.4
[M]- 96.044143 112.4
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