CID 21684566

35188-35-3

Structural Information

Molecular Formula
C5H11NOS
SMILES
C1CCS(=N)(=O)CC1
InChI
InChI=1S/C5H11NOS/c6-8(7)4-2-1-3-5-8/h6H,1-5H2
InChIKey
UIBWDNFGDBQBDK-UHFFFAOYSA-N
Compound name
1-iminothiane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

133.05614 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06342 123.1
[M+Na]+ 156.04536 129.7
[M-H]- 132.04886 126.5
[M+NH4]+ 151.08996 146.8
[M+K]+ 172.01930 127.9
[M+H-H2O]+ 116.05340 118.6
[M+HCOO]- 178.05434 140.7
[M+CH3COO]- 192.06999 168.9
[M+Na-2H]- 154.03081 128.7
[M]+ 133.05559 119.1
[M]- 133.05669 119.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe