CID 135404220

70700-44-6

Structural Information

Molecular Formula
C6H9N5O2
SMILES
CN(C)C1=NC(=C(C(=O)N1)N=O)N
InChI
InChI=1S/C6H9N5O2/c1-11(2)6-8-4(7)3(10-13)5(12)9-6/h1-2H3,(H3,7,8,9,12)
InChIKey
WQJLLOCUCJRMMW-UHFFFAOYSA-N
Compound name
4-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

183.07562 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08290 135.8
[M+Na]+ 206.06484 146.1
[M+NH4]+ 201.10944 141.6
[M+K]+ 222.03878 142.8
[M-H]- 182.06834 137.0
[M+Na-2H]- 204.05029 141.3
[M]+ 183.07507 137.1
[M]- 183.07617 137.1
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