CID 137951946

2193065-72-2

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1C(CC2C1O2)CN3C=CC=N3
InChI
InChI=1S/C9H12N2O/c1-2-10-11(3-1)6-7-4-8-9(5-7)12-8/h1-3,7-9H,4-6H2
InChIKey
WFYWETUDHRWVST-UHFFFAOYSA-N
Compound name
1-(6-oxabicyclo[3.1.0]hexan-3-ylmethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 137.7
[M+Na]+ 187.08418 148.3
[M-H]- 163.08768 143.9
[M+NH4]+ 182.12878 154.0
[M+K]+ 203.05812 146.2
[M+H-H2O]+ 147.09222 130.7
[M+HCOO]- 209.09316 158.7
[M+CH3COO]- 223.10881 151.2
[M+Na-2H]- 185.06963 142.4
[M]+ 164.09441 140.8
[M]- 164.09551 140.8
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.