CID 132343948

2137746-17-7

Structural Information

Molecular Formula
C12H20ClNO5S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(OC2)CS(=O)(=O)Cl
InChI
InChI=1S/C12H20ClNO5S/c1-11(2,3)19-10(15)14-6-12(7-14)4-9(18-8-12)5-20(13,16)17/h9H,4-8H2,1-3H3
InChIKey
PYBZIDOKXLXXHJ-UHFFFAOYSA-N
Compound name
tert-butyl 7-(chlorosulfonylmethyl)-6-oxa-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.07507 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08235 161.3
[M+Na]+ 348.06429 166.2
[M-H]- 324.06779 165.8
[M+NH4]+ 343.10889 171.7
[M+K]+ 364.03823 168.2
[M+H-H2O]+ 308.07233 153.1
[M+HCOO]- 370.07327 166.9
[M+CH3COO]- 384.08892 200.8
[M+Na-2H]- 346.04974 164.4
[M]+ 325.07452 175.3
[M]- 325.07562 175.3
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.