CID 10534729

215524-17-7

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1=CC(=O)N(N=C1)CCN
InChI
InChI=1S/C6H9N3O/c7-3-5-9-6(10)2-1-4-8-9/h1-2,4H,3,5,7H2
InChIKey
WCTKTNLZDXKQNS-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

139.07455 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 126.0
[M+Na]+ 162.06377 135.2
[M-H]- 138.06727 126.9
[M+NH4]+ 157.10837 144.7
[M+K]+ 178.03771 133.1
[M+H-H2O]+ 122.07181 118.9
[M+HCOO]- 184.07275 149.8
[M+CH3COO]- 198.08840 174.1
[M+Na-2H]- 160.04922 134.5
[M]+ 139.07400 125.2
[M]- 139.07510 125.2
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