CID 3060085

77694-38-3

Structural Information

Molecular Formula
C9H9NO3S
SMILES
C1COC(=O)C1NC(=O)C2=CC=CS2
InChI
InChI=1S/C9H9NO3S/c11-8(7-2-1-5-14-7)10-6-3-4-13-9(6)12/h1-2,5-6H,3-4H2,(H,10,11)
InChIKey
OYCHNKSWYZRTLV-UHFFFAOYSA-N
Compound name
N-(2-oxooxolan-3-yl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.03032 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.03760 145.5
[M+Na]+ 234.01954 152.9
[M-H]- 210.02304 153.5
[M+NH4]+ 229.06414 166.6
[M+K]+ 249.99348 152.2
[M+H-H2O]+ 194.02758 140.5
[M+HCOO]- 256.02852 165.4
[M+CH3COO]- 270.04417 182.4
[M+Na-2H]- 232.00499 146.0
[M]+ 211.02977 146.6
[M]- 211.03087 146.6
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.