CID 137964652

2228570-93-0

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1CC(C1)(CO)C2=CC=NN2
InChI
InChI=1S/C8H12N2O/c11-6-8(3-1-4-8)7-2-5-9-10-7/h2,5,11H,1,3-4,6H2,(H,9,10)
InChIKey
AVHQHTCUNAHUBV-UHFFFAOYSA-N
Compound name
[1-(1H-pyrazol-5-yl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 130.9
[M+Na]+ 175.08418 137.0
[M-H]- 151.08768 132.4
[M+NH4]+ 170.12878 145.1
[M+K]+ 191.05812 137.1
[M+H-H2O]+ 135.09222 120.0
[M+HCOO]- 197.09316 149.5
[M+CH3COO]- 211.10881 172.0
[M+Na-2H]- 173.06963 136.9
[M]+ 152.09441 136.1
[M]- 152.09551 136.1
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.