CID 12090248

1158419-15-8

Structural Information

Molecular Formula
C5H11NOS
SMILES
C1CS(=O)CCC1N
InChI
InChI=1S/C5H11NOS/c6-5-1-3-8(7)4-2-5/h5H,1-4,6H2
InChIKey
JFDKXLCNTFZQKA-UHFFFAOYSA-N
Compound name
1-oxothian-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

133.05614 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.063416 124.2
[M+Na]+ 156.045358 130.6
[M-H]- 132.048864 127.1
[M+NH4]+ 151.089963 146.0
[M+K]+ 172.019298 128.8
[M+H-H2O]+ 116.053400 119.0
[M+HCOO]- 178.054341 141.0
[M+CH3COO]- 192.069991 170.6
[M+Na-2H]- 154.030806 126.8
[M]+ 133.05559142 119.9
[M]- 133.05668858 119.9
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