CID 30861

21928-82-5

Structural Information

Molecular Formula
C6H6N6O
SMILES
CN(C1=NC=NC2=C1NC=N2)N=O
InChI
InChI=1S/C6H6N6O/c1-12(11-13)6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
InChIKey
HTWGDSKVENTDTB-UHFFFAOYSA-N
Compound name
N-methyl-N-(7H-purin-6-yl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

178.0603 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06758 131.9
[M+Na]+ 201.04952 143.8
[M+NH4]+ 196.09412 138.5
[M+K]+ 217.02346 141.3
[M-H]- 177.05302 132.4
[M+Na-2H]- 199.03497 139.0
[M]+ 178.05975 133.3
[M]- 178.06085 133.3
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

No patent data available for this compound.