CID 5272715

2-(3-thienyl)indolizine

Structural Information

Molecular Formula
C12H9NS
SMILES
C1=CC2=CC(=CN2C=C1)C3=CSC=C3
InChI
InChI=1S/C12H9NS/c1-2-5-13-8-11(7-12(13)3-1)10-4-6-14-9-10/h1-9H
InChIKey
HUQWEKFCSQQSCV-UHFFFAOYSA-N
Compound name
2-thiophen-3-ylindolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

199.04558 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05286 140.5
[M+Na]+ 222.03480 152.8
[M-H]- 198.03830 148.7
[M+NH4]+ 217.07940 164.4
[M+K]+ 238.00874 148.6
[M+H-H2O]+ 182.04284 135.0
[M+HCOO]- 244.04378 162.7
[M+CH3COO]- 258.05943 155.9
[M+Na-2H]- 220.02025 144.3
[M]+ 199.04503 144.8
[M]- 199.04613 144.8
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