CID 135416495

2209-72-5

Structural Information

Molecular Formula
C5H6N4O2
SMILES
CC1=NC(=C(C(=O)N1)N=O)N
InChI
InChI=1S/C5H6N4O2/c1-2-7-4(6)3(9-11)5(10)8-2/h1H3,(H3,6,7,8,10)
InChIKey
DRDJDNORXOOBHR-UHFFFAOYSA-N
Compound name
4-amino-2-methyl-5-nitroso-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

154.04907 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05635 127.6
[M+Na]+ 177.03829 138.3
[M-H]- 153.04179 129.4
[M+NH4]+ 172.08289 145.7
[M+K]+ 193.01223 136.3
[M+H-H2O]+ 137.04633 120.5
[M+HCOO]- 199.04727 153.1
[M+CH3COO]- 213.06292 179.8
[M+Na-2H]- 175.02374 135.3
[M]+ 154.04852 127.2
[M]- 154.04962 127.2
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