CID 12434680

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

Structural Information

Molecular Formula
C4H6N4
SMILES
CNC1=NC=CN=N1
InChI
InChI=1S/C4H6N4/c1-5-4-6-2-3-7-8-4/h2-3H,1H3,(H,5,6,8)
InChIKey
GIXGABQLISIABB-UHFFFAOYSA-N
Compound name
N-methyl-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

110.05925 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.066526 119.0
[M+Na]+ 133.048468 127.8
[M-H]- 109.051974 118.8
[M+NH4]+ 128.093073 137.4
[M+K]+ 149.022408 126.6
[M+H-H2O]+ 93.056510 111.2
[M+HCOO]- 155.057451 142.2
[M+CH3COO]- 169.073101 169.3
[M+Na-2H]- 131.033916 130.5
[M]+ 110.05870142 117.9
[M]- 110.05979858 117.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe