CID 5463349

6041-28-7

Structural Information

Molecular Formula
C7H5NS
SMILES
C1=CSC(=C1)/C=C/C#N
InChI
InChI=1S/C7H5NS/c8-5-1-3-7-4-2-6-9-7/h1-4,6H/b3-1+
InChIKey
CONLQGNBFRQUBX-HNQUOIGGSA-N
Compound name
(E)-3-thiophen-2-ylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

135.01427 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.02155 132.2
[M+Na]+ 158.00349 143.9
[M-H]- 134.00699 136.7
[M+NH4]+ 153.04809 154.4
[M+K]+ 173.97743 140.5
[M+H-H2O]+ 118.01153 120.7
[M+HCOO]- 180.01247 149.7
[M+CH3COO]- 194.02812 182.6
[M+Na-2H]- 155.98894 135.3
[M]+ 135.01372 128.8
[M]- 135.01482 128.8
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

No patent data available for this compound.