CID 4962808

848658-71-9

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC1=CC(=O)N(C(=C1)N)N
InChI
InChI=1S/C6H9N3O/c1-4-2-5(7)9(8)6(10)3-4/h2-3H,7-8H2,1H3
InChIKey
WLBJSXRTEVTGGG-UHFFFAOYSA-N
Compound name
1,6-diamino-4-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

139.07455 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 125.9
[M+Na]+ 162.063768 136.0
[M-H]- 138.067274 128.5
[M+NH4]+ 157.108373 145.9
[M+K]+ 178.037708 133.8
[M+H-H2O]+ 122.071810 119.8
[M+HCOO]- 184.072751 151.3
[M+CH3COO]- 198.088401 178.1
[M+Na-2H]- 160.049216 132.0
[M]+ 139.07400142 123.6
[M]- 139.07509858 123.6
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.