CID 5272726

2-(furan-2-yl)indolizine

Structural Information

Molecular Formula
C12H9NO
SMILES
C1=CC2=CC(=CN2C=C1)C3=CC=CO3
InChI
InChI=1S/C12H9NO/c1-2-6-13-9-10(8-11(13)4-1)12-5-3-7-14-12/h1-9H
InChIKey
UGGLREXOFWHWIW-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)indolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

183.06842 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07570 134.7
[M+Na]+ 206.05764 145.7
[M-H]- 182.06114 142.8
[M+NH4]+ 201.10224 156.7
[M+K]+ 222.03158 143.4
[M+H-H2O]+ 166.06568 128.6
[M+HCOO]- 228.06662 160.8
[M+CH3COO]- 242.08227 150.3
[M+Na-2H]- 204.04309 142.4
[M]+ 183.06787 138.0
[M]- 183.06897 138.0
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