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

30
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

literature stripe

Patent stripe

patents stripe