CID 212100

23916-77-0

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCO
InChI
InChI=1S/C12H12N2O2/c15-9-8-14-12(16)7-6-11(13-14)10-4-2-1-3-5-10/h1-7,15H,8-9H2
InChIKey
XHSYJYUUWKZQOW-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

216.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 146.1
[M+Na]+ 239.079088 155.3
[M-H]- 215.082594 149.2
[M+NH4]+ 234.123693 161.3
[M+K]+ 255.053028 150.9
[M+H-H2O]+ 199.087130 137.6
[M+HCOO]- 261.088071 167.6
[M+CH3COO]- 275.103721 184.4
[M+Na-2H]- 237.064536 153.4
[M]+ 216.08932142 146.5
[M]- 216.09041858 146.5
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

patents stripe