CID 126971897

1-cyclopropyl-3-methyl-1-pyrazol-5-ol

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC1=CC(=O)N(N1)C2CC2
InChI
InChI=1S/C7H10N2O/c1-5-4-7(10)9(8-5)6-2-3-6/h4,6,8H,2-3H2,1H3
InChIKey
UHOPDQHKMMHAII-UHFFFAOYSA-N
Compound name
2-cyclopropyl-5-methyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 130.8
[M+Na]+ 161.06854 142.6
[M-H]- 137.07204 135.1
[M+NH4]+ 156.11314 146.5
[M+K]+ 177.04248 138.4
[M+H-H2O]+ 121.07658 124.0
[M+HCOO]- 183.07752 153.3
[M+CH3COO]- 197.09317 173.9
[M+Na-2H]- 159.05399 135.7
[M]+ 138.07877 132.3
[M]- 138.07987 132.3
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

No patent data available for this compound.