CID 212625

2-ethyl-2-methyl-1,3-oxathiolane-5-methanol carbamate

Structural Information

Molecular Formula
C8H15NO3S
SMILES
CCC1(OC(CS1)COC(=O)N)C
InChI
InChI=1S/C8H15NO3S/c1-3-8(2)12-6(5-13-8)4-11-7(9)10/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKey
UWLKDGGLSVPEJT-UHFFFAOYSA-N
Compound name
(2-ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.07727 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08455 143.8
[M+Na]+ 228.06649 150.4
[M-H]- 204.06999 147.4
[M+NH4]+ 223.11109 165.2
[M+K]+ 244.04043 150.5
[M+H-H2O]+ 188.07453 139.4
[M+HCOO]- 250.07547 160.4
[M+CH3COO]- 264.09112 183.2
[M+Na-2H]- 226.05194 145.3
[M]+ 205.07672 145.8
[M]- 205.07782 145.8
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.