CID 58200410

1-methyl-3-(pyridin-2-yl)-1h-pyrazol-5-ol

Structural Information

Molecular Formula
C9H9N3O
SMILES
CN1C(=O)C=C(N1)C2=CC=CC=N2
InChI
InChI=1S/C9H9N3O/c1-12-9(13)6-8(11-12)7-4-2-3-5-10-7/h2-6,11H,1H3
InChIKey
UIRZPBIVSUDSBN-UHFFFAOYSA-N
Compound name
2-methyl-5-pyridin-2-yl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

175.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 135.0
[M+Na]+ 198.063768 145.5
[M-H]- 174.067274 137.2
[M+NH4]+ 193.108373 152.4
[M+K]+ 214.037708 141.5
[M+H-H2O]+ 158.071810 126.8
[M+HCOO]- 220.072751 156.7
[M+CH3COO]- 234.088401 148.4
[M+Na-2H]- 196.049216 141.1
[M]+ 175.07400142 134.3
[M]- 175.07509858 134.3
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