CID 137321732

Einecs 247-581-9

Structural Information

Molecular Formula
C4H6N4O
SMILES
C1C(=NC(=N)NC1=O)N
InChI
InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H2,(H4,5,6,7,8,9)
InChIKey
CHSXGZHOMKSJNB-UHFFFAOYSA-N
Compound name
6-amino-2-imino-5H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

126.05416 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.061436 124.0
[M+Na]+ 149.043378 131.9
[M-H]- 125.046884 123.5
[M+NH4]+ 144.087983 142.0
[M+K]+ 165.017318 129.2
[M+H-H2O]+ 109.051420 117.3
[M+HCOO]- 171.052361 145.1
[M+CH3COO]- 185.068011 171.5
[M+Na-2H]- 147.028826 130.4
[M]+ 126.05361142 116.6
[M]- 126.05470858 116.6
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