CID 2772218

62510-60-5

Structural Information

Molecular Formula
C4H7NO2S
SMILES
C1C(C=CS1(=O)=O)N
InChI
InChI=1S/C4H7NO2S/c5-4-1-2-8(6,7)3-4/h1-2,4H,3,5H2
InChIKey
YQYVLIKFODWGAV-UHFFFAOYSA-N
Compound name
1,1-dioxo-2,3-dihydrothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

133.01974 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.027016 120.9
[M+Na]+ 156.008958 130.9
[M-H]- 132.012464 125.0
[M+NH4]+ 151.053563 146.7
[M+K]+ 171.982898 129.1
[M+H-H2O]+ 116.017000 117.1
[M+HCOO]- 178.017941 142.1
[M+CH3COO]- 192.033591 167.7
[M+Na-2H]- 153.994406 125.2
[M]+ 133.01919142 121.0
[M]- 133.02028858 121.0
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