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 125.9
[M+Na]+ 162.06377 136.0
[M-H]- 138.06727 128.5
[M+NH4]+ 157.10837 145.9
[M+K]+ 178.03771 133.8
[M+H-H2O]+ 122.07181 119.8
[M+HCOO]- 184.07275 151.3
[M+CH3COO]- 198.08840 178.1
[M+Na-2H]- 160.04922 132.0
[M]+ 139.07400 123.6
[M]- 139.07510 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.