CID 197023

3310-41-6

Structural Information

Molecular Formula
C4H6N4O
SMILES
C1=C(NC(=O)N=C1)NN
InChI
InChI=1S/C4H6N4O/c5-8-3-1-2-6-4(9)7-3/h1-2H,5H2,(H2,6,7,8,9)
InChIKey
ZMYMWRORNQVELJ-UHFFFAOYSA-N
Compound name
6-hydrazinyl-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

94
Patents

126.05416 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 121.2
[M+Na]+ 149.04338 129.9
[M-H]- 125.04688 121.0
[M+NH4]+ 144.08798 139.3
[M+K]+ 165.01732 127.3
[M+H-H2O]+ 109.05142 114.3
[M+HCOO]- 171.05236 145.2
[M+CH3COO]- 185.06801 170.6
[M+Na-2H]- 147.02883 130.6
[M]+ 126.05361 117.1
[M]- 126.05471 117.1
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