CID 135408698

Nsc 27716

Structural Information

Molecular Formula
C5H5N5O
SMILES
C1=C(N=C(NC1=O)NC#N)N
InChI
InChI=1S/C5H5N5O/c6-2-8-5-9-3(7)1-4(11)10-5/h1H,(H4,7,8,9,10,11)
InChIKey
JQZJMILBKZUKLV-UHFFFAOYSA-N
Compound name
(4-amino-6-oxo-1H-pyrimidin-2-yl)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

151.04941 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05669 129.9
[M+Na]+ 174.03863 139.8
[M-H]- 150.04213 129.1
[M+NH4]+ 169.08323 144.9
[M+K]+ 190.01257 137.5
[M+H-H2O]+ 134.04667 116.0
[M+HCOO]- 196.04761 149.3
[M+CH3COO]- 210.06326 189.0
[M+Na-2H]- 172.02408 136.9
[M]+ 151.04886 121.3
[M]- 151.04996 121.3
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

patents stripe