CID 385993

Nsc677520

Structural Information

Molecular Formula
C9H12N4O3
SMILES
CCN1C(=O)C(=C(N(C1=O)C2CC2)N)N=O
InChI
InChI=1S/C9H12N4O3/c1-2-12-8(14)6(11-16)7(10)13(9(12)15)5-3-4-5/h5H,2-4,10H2,1H3
InChIKey
BBVKXSXZWSUVSQ-UHFFFAOYSA-N
Compound name
6-amino-1-cyclopropyl-3-ethyl-5-nitrosopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09094 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09822 153.7
[M+Na]+ 247.08016 166.8
[M-H]- 223.08366 160.9
[M+NH4]+ 242.12476 165.3
[M+K]+ 263.05410 162.0
[M+H-H2O]+ 207.08820 145.7
[M+HCOO]- 269.08914 179.7
[M+CH3COO]- 283.10479 199.6
[M+Na-2H]- 245.06561 158.0
[M]+ 224.09039 159.1
[M]- 224.09149 159.1
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.