CID 504551

Schembl17294407

Structural Information

Molecular Formula
C6H11NOS
SMILES
CC(=O)NC1CCSC1
InChI
InChI=1S/C6H11NOS/c1-5(8)7-6-2-3-9-4-6/h6H,2-4H2,1H3,(H,7,8)
InChIKey
VLMYQTZGRRSFJB-UHFFFAOYSA-N
Compound name
N-(thiolan-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

145.05614 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06342 130.9
[M+Na]+ 168.04536 136.9
[M-H]- 144.04886 134.3
[M+NH4]+ 163.08996 154.1
[M+K]+ 184.01930 135.9
[M+H-H2O]+ 128.05340 125.6
[M+HCOO]- 190.05434 149.2
[M+CH3COO]- 204.06999 173.1
[M+Na-2H]- 166.03081 132.1
[M]+ 145.05559 129.1
[M]- 145.05669 129.1
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

patents stripe