CID 2782179

58749-51-2

Structural Information

Molecular Formula
C7H7NOS
SMILES
C1=CSC(=C1)CCN=C=O
InChI
InChI=1S/C7H7NOS/c9-6-8-4-3-7-2-1-5-10-7/h1-2,5H,3-4H2
InChIKey
KAJZMNLREUEZSH-UHFFFAOYSA-N
Compound name
2-(2-isocyanatoethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

153.02484 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03212 132.1
[M+Na]+ 176.01406 142.7
[M+NH4]+ 171.05866 141.3
[M+K]+ 191.98800 135.5
[M-H]- 152.01756 134.6
[M+Na-2H]- 173.99951 137.9
[M]+ 153.02429 134.6
[M]- 153.02539 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe