CID 5473890

Thienpydin

Structural Information

Molecular Formula
C11H10NS
SMILES
C1=CC=[N+](C=C1)/C=C/C2=CC=CS2
InChI
InChI=1S/C11H10NS/c1-2-7-12(8-3-1)9-6-11-5-4-10-13-11/h1-10H/q+1/b9-6+
InChIKey
DSCGMPTYLYMFLQ-RMKNXTFCSA-N
Compound name
1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

188.05339 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06067 139.6
[M+Na]+ 211.04261 148.7
[M-H]- 187.04611 145.9
[M+NH4]+ 206.08721 160.1
[M+K]+ 227.01655 139.1
[M+H-H2O]+ 171.05065 135.6
[M+HCOO]- 233.05159 159.6
[M+CH3COO]- 247.06724 171.7
[M+Na-2H]- 209.02806 145.5
[M]+ 188.05284 139.2
[M]- 188.05394 139.2
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

No patent data available for this compound.