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]+ 120.04776 121.2
[M+Na]+ 142.02970 129.2
[M-H]- 118.03320 124.7
[M+NH4]+ 137.07430 145.5
[M+K]+ 158.00364 127.7
[M+H-H2O]+ 102.03774 116.5
[M+HCOO]- 164.03868 140.5
[M+CH3COO]- 178.05433 167.3
[M+Na-2H]- 140.01515 122.9
[M]+ 119.03993 118.7
[M]- 119.04103 118.8
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