CID 53408424

6-(furan-3-yl)-1h-indole

Structural Information

Molecular Formula
C12H9NO
SMILES
C1=CC(=CC2=C1C=CN2)C3=COC=C3
InChI
InChI=1S/C12H9NO/c1-2-10(11-4-6-14-8-11)7-12-9(1)3-5-13-12/h1-8,13H
InChIKey
SESUSXJVWJHEOW-UHFFFAOYSA-N
Compound name
6-(furan-3-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.06842 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.075696 134.9
[M+Na]+ 206.057638 145.5
[M-H]- 182.061144 141.7
[M+NH4]+ 201.102243 156.2
[M+K]+ 222.031578 142.3
[M+H-H2O]+ 166.065680 129.1
[M+HCOO]- 228.066621 159.5
[M+CH3COO]- 242.082271 149.8
[M+Na-2H]- 204.043086 142.3
[M]+ 183.06787142 136.5
[M]- 183.06896858 136.5
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