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]+ 127.061436 124.6
[M+Na]+ 149.043378 133.8
[M-H]- 125.046884 124.0
[M+NH4]+ 144.087983 142.4
[M+K]+ 165.017318 131.9
[M+H-H2O]+ 109.051420 117.2
[M+HCOO]- 171.052361 144.9
[M+CH3COO]- 185.068011 171.9
[M+Na-2H]- 147.028826 131.2
[M]+ 126.05361142 120.4
[M]- 126.05470858 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.