CID 115052066

1894460-02-6

Structural Information

Molecular Formula
C10H18ClNO4S
SMILES
CC(C)(C)OC(=O)N1CC(C1)CCS(=O)(=O)Cl
InChI
InChI=1S/C10H18ClNO4S/c1-10(2,3)16-9(13)12-6-8(7-12)4-5-17(11,14)15/h8H,4-7H2,1-3H3
InChIKey
CPOYDDXQKVPSIK-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-chlorosulfonylethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0645 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.071776 155.4
[M+Na]+ 306.053718 160.7
[M-H]- 282.057224 157.2
[M+NH4]+ 301.098323 164.9
[M+K]+ 322.027658 161.2
[M+H-H2O]+ 266.061760 145.0
[M+HCOO]- 328.062701 162.6
[M+CH3COO]- 342.078351 196.5
[M+Na-2H]- 304.039166 156.8
[M]+ 283.06395142 169.7
[M]- 283.06504858 169.7
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.