CID 11412358

4-methylpyridazin-3-ol

Structural Information

Molecular Formula
C5H6N2O
SMILES
CC1=CC=NNC1=O
InChI
InChI=1S/C5H6N2O/c1-4-2-3-6-7-5(4)8/h2-3H,1H3,(H,7,8)
InChIKey
HBPUWDXGIIXNTF-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

110.04801 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 117.4
[M+Na]+ 133.03723 127.5
[M-H]- 109.04073 117.7
[M+NH4]+ 128.08183 137.2
[M+K]+ 149.01117 125.3
[M+H-H2O]+ 93.045270 111.3
[M+HCOO]- 155.04621 139.6
[M+CH3COO]- 169.06186 164.2
[M+Na-2H]- 131.02268 126.7
[M]+ 110.04746 116.2
[M]- 110.04856 116.2
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