CID 135454173

7152-19-4

Structural Information

Molecular Formula
C6H6N4O
SMILES
CC1=CC(=O)NC(=N1)NC#N
InChI
InChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)8-3-7/h2H,1H3,(H2,8,9,10,11)
InChIKey
WGBRHUINONWPFT-UHFFFAOYSA-N
Compound name
(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

118
Patents

150.05415 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.061426 128.8
[M+Na]+ 173.043368 139.2
[M-H]- 149.046874 128.4
[M+NH4]+ 168.087973 144.5
[M+K]+ 189.017308 136.8
[M+H-H2O]+ 133.051410 115.1
[M+HCOO]- 195.052351 147.7
[M+CH3COO]- 209.068001 187.6
[M+Na-2H]- 171.028816 136.1
[M]+ 150.05360142 122.1
[M]- 150.05469858 122.1
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