CID 135408698

6112-71-6

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

10
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 133.3
[M+Na]+ 174.03863 143.5
[M+NH4]+ 169.08323 136.2
[M+K]+ 190.01257 136.1
[M-H]- 150.04213 126.6
[M+Na-2H]- 172.02408 136.2
[M]+ 151.04886 131.6
[M]- 151.04996 131.6
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