CID 137945105

2287340-26-3

Structural Information

Molecular Formula
C10H15ClN2O4S
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CS(=O)(=O)Cl)C#N
InChI
InChI=1S/C10H15ClN2O4S/c1-9(2,3)17-8(14)13-5-10(4-12,6-13)7-18(11,15)16/h5-7H2,1-3H3
InChIKey
XWTJZMSLZRUARS-UHFFFAOYSA-N
Compound name
tert-butyl 3-(chlorosulfonylmethyl)-3-cyanoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0441 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05138 160.5
[M+Na]+ 317.03332 167.8
[M-H]- 293.03682 163.2
[M+NH4]+ 312.07792 170.4
[M+K]+ 333.00726 170.1
[M+H-H2O]+ 277.04136 145.6
[M+HCOO]- 339.04230 165.7
[M+CH3COO]- 353.05795 207.6
[M+Na-2H]- 315.01877 163.3
[M]+ 294.04355 168.8
[M]- 294.04465 168.8
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.