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]+ 165.102236 137.7
[M+Na]+ 187.084178 148.3
[M-H]- 163.087684 143.9
[M+NH4]+ 182.128783 154.0
[M+K]+ 203.058118 146.2
[M+H-H2O]+ 147.092220 130.7
[M+HCOO]- 209.093161 158.7
[M+CH3COO]- 223.108811 151.2
[M+Na-2H]- 185.069626 142.4
[M]+ 164.09441142 140.8
[M]- 164.09550858 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.