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]+ 200.052856 140.5
[M+Na]+ 222.034798 152.8
[M-H]- 198.038304 148.7
[M+NH4]+ 217.079403 164.4
[M+K]+ 238.008738 148.6
[M+H-H2O]+ 182.042840 135.0
[M+HCOO]- 244.043781 162.7
[M+CH3COO]- 258.059431 155.9
[M+Na-2H]- 220.020246 144.3
[M]+ 199.04503142 144.8
[M]- 199.04612858 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