CID 54595890

1354957-73-5

Structural Information

Molecular Formula
C4H9NOS
SMILES
C1CS(=O)CC1N
InChI
InChI=1S/C4H9NOS/c5-4-1-2-7(6)3-4/h4H,1-3,5H2
InChIKey
IZIQAJJTLDOLGI-UHFFFAOYSA-N
Compound name
1-oxothiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

119.04048 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.047756 121.2
[M+Na]+ 142.029698 129.2
[M-H]- 118.033204 124.7
[M+NH4]+ 137.074303 145.5
[M+K]+ 158.003638 127.7
[M+H-H2O]+ 102.037740 116.5
[M+HCOO]- 164.038681 140.5
[M+CH3COO]- 178.054331 167.3
[M+Na-2H]- 140.015146 122.9
[M]+ 119.03993142 118.7
[M]- 119.04102858 118.7
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