CID 198694

110766-29-5

Structural Information

Molecular Formula
C11H13N3O2
SMILES
C1C(C(=NNC1=O)C2=CC=C(C=C2)N)CO
InChI
InChI=1S/C11H13N3O2/c12-9-3-1-7(2-4-9)11-8(6-15)5-10(16)13-14-11/h1-4,8,15H,5-6,12H2,(H,13,16)
InChIKey
VMCLJKSTGFIDBB-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 149.4
[M+Na]+ 242.08999 156.6
[M-H]- 218.09349 150.4
[M+NH4]+ 237.13459 163.2
[M+K]+ 258.06393 151.7
[M+H-H2O]+ 202.09803 141.3
[M+HCOO]- 264.09897 167.2
[M+CH3COO]- 278.11462 185.3
[M+Na-2H]- 240.07544 153.4
[M]+ 219.10022 143.5
[M]- 219.10132 143.5
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.