CID 43511752

1797268-23-5

Structural Information

Molecular Formula
C8H17NO3S
SMILES
CC(CNC1CCS(=O)(=O)CC1)O
InChI
InChI=1S/C8H17NO3S/c1-7(10)6-9-8-2-4-13(11,12)5-3-8/h7-10H,2-6H2,1H3
InChIKey
SMNYZOHUSIVFNV-UHFFFAOYSA-N
Compound name
1-[(1,1-dioxothian-4-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.09291 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10019 142.5
[M+Na]+ 230.08213 147.6
[M-H]- 206.08563 144.1
[M+NH4]+ 225.12673 162.6
[M+K]+ 246.05607 145.7
[M+H-H2O]+ 190.09017 137.8
[M+HCOO]- 252.09111 157.0
[M+CH3COO]- 266.10676 181.6
[M+Na-2H]- 228.06758 144.9
[M]+ 207.09236 140.4
[M]- 207.09346 140.4
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

No patent data available for this compound.