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]+ 111.06653 119.0
[M+Na]+ 133.04847 127.8
[M-H]- 109.05197 118.8
[M+NH4]+ 128.09307 137.4
[M+K]+ 149.02241 126.6
[M+H-H2O]+ 93.056510 111.2
[M+HCOO]- 155.05745 142.2
[M+CH3COO]- 169.07310 169.3
[M+Na-2H]- 131.03392 130.5
[M]+ 110.05870 117.9
[M]- 110.05980 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