CID 12940307

77375-78-1

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCN
InChI
InChI=1S/C13H15N3O/c14-9-4-10-16-13(17)8-7-12(15-16)11-5-2-1-3-6-11/h1-3,5-8H,4,9-10,14H2
InChIKey
YSPMOKARTYZIID-UHFFFAOYSA-N
Compound name
2-(3-aminopropyl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 151.6
[M+Na]+ 252.110718 159.9
[M-H]- 228.114224 155.3
[M+NH4]+ 247.155323 166.3
[M+K]+ 268.084658 155.2
[M+H-H2O]+ 212.118760 142.5
[M+HCOO]- 274.119701 174.4
[M+CH3COO]- 288.135351 192.2
[M+Na-2H]- 250.096166 158.2
[M]+ 229.12095142 151.1
[M]- 229.12204858 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.