CID 385990

89073-60-9

Structural Information

Molecular Formula
C8H12N4O3
SMILES
CCN1C(=C(C(=O)N(C1=O)CC)N=O)N
InChI
InChI=1S/C8H12N4O3/c1-3-11-6(9)5(10-15)7(13)12(4-2)8(11)14/h3-4,9H2,1-2H3
InChIKey
GAZDRRFBKXZFCM-UHFFFAOYSA-N
Compound name
6-amino-1,3-diethyl-5-nitrosopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

212.09094 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09822 142.3
[M+Na]+ 235.08016 154.2
[M-H]- 211.08366 145.8
[M+NH4]+ 230.12476 159.3
[M+K]+ 251.05410 152.3
[M+H-H2O]+ 195.08820 134.8
[M+HCOO]- 257.08914 168.6
[M+CH3COO]- 271.10479 195.5
[M+Na-2H]- 233.06561 147.6
[M]+ 212.09039 146.4
[M]- 212.09149 146.4
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

No patent data available for this compound.