CID 208759

Pp-12

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CO
InChI
InChI=1S/C11H10N2O2/c14-8-13-11(15)7-6-10(12-13)9-4-2-1-3-5-9/h1-7,14H,8H2
InChIKey
BVPMMHIYXMVPKJ-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

202.07423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 141.5
[M+Na]+ 225.063448 151.1
[M-H]- 201.066954 144.8
[M+NH4]+ 220.108053 157.3
[M+K]+ 241.037388 147.1
[M+H-H2O]+ 185.071490 133.3
[M+HCOO]- 247.072431 163.4
[M+CH3COO]- 261.088081 181.4
[M+Na-2H]- 223.048896 149.4
[M]+ 202.07368142 141.6
[M]- 202.07477858 141.6
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