CID 259752

61908-15-4

Structural Information

Molecular Formula
C4H5N5O
SMILES
C1=NC(=C(C(=N1)N)N=O)N
InChI
InChI=1S/C4H5N5O/c5-3-2(9-10)4(6)8-1-7-3/h1H,(H4,5,6,7,8)
InChIKey
XOUCPTSENBHIRW-UHFFFAOYSA-N
Compound name
5-nitrosopyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

139.04941 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05669 123.9
[M+Na]+ 162.03863 133.6
[M-H]- 138.04213 126.4
[M+NH4]+ 157.08323 142.5
[M+K]+ 178.01257 132.4
[M+H-H2O]+ 122.04667 116.3
[M+HCOO]- 184.04761 151.3
[M+CH3COO]- 198.06326 181.2
[M+Na-2H]- 160.02408 132.9
[M]+ 139.04886 122.2
[M]- 139.04996 122.2
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