CID 121552278

3-(1h-pyrazol-1-yl)cyclobutan-1-one

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1C(CC1=O)N2C=CC=N2
InChI
InChI=1S/C7H8N2O/c10-7-4-6(5-7)9-3-1-2-8-9/h1-3,6H,4-5H2
InChIKey
BJQOHWJWQPHKQV-UHFFFAOYSA-N
Compound name
3-pyrazol-1-ylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06366 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 124.1
[M+Na]+ 159.05288 131.5
[M+NH4]+ 154.09748 128.4
[M+K]+ 175.02682 129.7
[M-H]- 135.05638 122.9
[M+Na-2H]- 157.03833 128.5
[M]+ 136.06311 123.4
[M]- 136.06421 123.4
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.