CID 55266316

2377035-65-7

Structural Information

Molecular Formula
C4H9NO2S
SMILES
C1CS(=N)(=O)CCO1
InChI
InChI=1S/C4H9NO2S/c5-8(6)3-1-7-2-4-8/h5H,1-4H2
InChIKey
UGKYIHYYWHSBPK-UHFFFAOYSA-N
Compound name
4-imino-1,4-oxathiane 4-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

135.0354 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 121.5
[M+Na]+ 158.02462 128.5
[M-H]- 134.02812 125.7
[M+NH4]+ 153.06922 143.8
[M+K]+ 173.99856 128.4
[M+H-H2O]+ 118.03266 117.0
[M+HCOO]- 180.03360 138.9
[M+CH3COO]- 194.04925 167.9
[M+Na-2H]- 156.01007 128.7
[M]+ 135.03485 119.1
[M]- 135.03595 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

No literature data available for this compound.

Patent stripe

patents stripe