CID 139595933

Dtxsid401028217

Structural Information

Molecular Formula
C4H6N4O
SMILES
C=C1CN(C(=O)N=N1)N
InChI
InChI=1S/C4H6N4O/c1-3-2-8(5)4(9)7-6-3/h1-2,5H2
InChIKey
LMQCXGCVWZCDTA-UHFFFAOYSA-N
Compound name
4-amino-6-methylidene-5H-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

126.05416 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 124.6
[M+Na]+ 149.04338 133.8
[M-H]- 125.04688 124.0
[M+NH4]+ 144.08798 142.4
[M+K]+ 165.01732 131.9
[M+H-H2O]+ 109.05142 117.2
[M+HCOO]- 171.05236 144.9
[M+CH3COO]- 185.06801 171.9
[M+Na-2H]- 147.02883 131.2
[M]+ 126.05361 120.4
[M]- 126.05471 120.4
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

No patent data available for this compound.