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

36
Patents

133.05614 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06342 124.2
[M+Na]+ 156.04536 130.6
[M-H]- 132.04886 127.1
[M+NH4]+ 151.08996 146.0
[M+K]+ 172.01930 128.8
[M+H-H2O]+ 116.05340 119.0
[M+HCOO]- 178.05434 141.0
[M+CH3COO]- 192.06999 170.6
[M+Na-2H]- 154.03081 126.8
[M]+ 133.05559 119.9
[M]- 133.05669 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