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]+ 284.07178 155.4
[M+Na]+ 306.05372 160.7
[M-H]- 282.05722 157.2
[M+NH4]+ 301.09832 164.9
[M+K]+ 322.02766 161.2
[M+H-H2O]+ 266.06176 145.0
[M+HCOO]- 328.06270 162.6
[M+CH3COO]- 342.07835 196.5
[M+Na-2H]- 304.03917 156.8
[M]+ 283.06395 169.7
[M]- 283.06505 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.