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]+ 140.08183 125.5
[M+Na]+ 162.06377 137.4
[M+NH4]+ 157.10837 133.2
[M+K]+ 178.03771 132.6
[M-H]- 138.06727 127.7
[M+Na-2H]- 160.04922 131.8
[M]+ 139.07400 127.6
[M]- 139.07510 127.6
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.