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

30
Patents

151.04941 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.056686 129.9
[M+Na]+ 174.038628 139.8
[M-H]- 150.042134 129.1
[M+NH4]+ 169.083233 144.9
[M+K]+ 190.012568 137.5
[M+H-H2O]+ 134.046670 116.0
[M+HCOO]- 196.047611 149.3
[M+CH3COO]- 210.063261 189.0
[M+Na-2H]- 172.024076 136.9
[M]+ 151.04886142 121.3
[M]- 151.04995858 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