CID 43150985

2-(furan-2-yl)azetidine

Structural Information

Molecular Formula
C7H9NO
SMILES
C1CNC1C2=CC=CO2
InChI
InChI=1S/C7H9NO/c1-2-7(9-5-1)6-3-4-8-6/h1-2,5-6,8H,3-4H2
InChIKey
FXSBCJGVJOJKSE-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

123.06841 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 116.3
[M+Na]+ 146.057628 122.4
[M-H]- 122.061134 120.9
[M+NH4]+ 141.102233 130.5
[M+K]+ 162.031568 124.8
[M+H-H2O]+ 106.065670 105.8
[M+HCOO]- 168.066611 137.2
[M+CH3COO]- 182.082261 169.3
[M+Na-2H]- 144.043076 123.7
[M]+ 123.06786142 122.8
[M]- 123.06895858 122.8
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

patents stripe