CID 26695420

2-[2-(thiophen-2-yl)-1,3-oxazol-4-yl]acetonitrile

Structural Information

Molecular Formula
C9H6N2OS
SMILES
C1=CSC(=C1)C2=NC(=CO2)CC#N
InChI
InChI=1S/C9H6N2OS/c10-4-3-7-6-12-9(11-7)8-2-1-5-13-8/h1-2,5-6H,3H2
InChIKey
PKGUQPODFNOKNG-UHFFFAOYSA-N
Compound name
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.02008 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.02736 142.1
[M+Na]+ 213.00930 155.9
[M-H]- 189.01280 148.5
[M+NH4]+ 208.05390 161.5
[M+K]+ 228.98324 153.1
[M+H-H2O]+ 173.01734 129.2
[M+HCOO]- 235.01828 160.5
[M+CH3COO]- 249.03393 155.7
[M+Na-2H]- 210.99475 144.8
[M]+ 190.01953 142.2
[M]- 190.02063 142.2
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.