CID 165465719

2137543-68-9

Structural Information

Molecular Formula
C14H24ClNO5S
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(OC2)CS(=O)(=O)Cl
InChI
InChI=1S/C14H24ClNO5S/c1-13(2,3)21-12(17)16-6-4-14(5-7-16)8-11(20-10-14)9-22(15,18)19/h11H,4-10H2,1-3H3
InChIKey
VCLFGTRGIXPXJU-UHFFFAOYSA-N
Compound name
tert-butyl 3-(chlorosulfonylmethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.10638 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11366 178.1
[M+Na]+ 376.09560 183.7
[M-H]- 352.09910 182.4
[M+NH4]+ 371.14020 194.0
[M+K]+ 392.06954 182.4
[M+H-H2O]+ 336.10364 174.5
[M+HCOO]- 398.10458 182.1
[M+CH3COO]- 412.12023 202.5
[M+Na-2H]- 374.08105 180.3
[M]+ 353.10583 181.2
[M]- 353.10693 181.2
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.