CID 145913685

2377036-38-7

Structural Information

Molecular Formula
C11H18ClNO4S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCC2S(=O)(=O)Cl
InChI
InChI=1S/C11H18ClNO4S/c1-10(2,3)17-9(14)13-6-11(7-13)5-4-8(11)18(12,15)16/h8H,4-7H2,1-3H3
InChIKey
UTYPNMHNGHOUQV-UHFFFAOYSA-N
Compound name
tert-butyl 7-chlorosulfonyl-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0645 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.071776 147.5
[M+Na]+ 318.053718 150.9
[M-H]- 294.057224 150.7
[M+NH4]+ 313.098323 151.7
[M+K]+ 334.027658 154.3
[M+H-H2O]+ 278.061760 134.1
[M+HCOO]- 340.062701 152.5
[M+CH3COO]- 354.078351 205.4
[M+Na-2H]- 316.039166 150.5
[M]+ 295.06395142 167.5
[M]- 295.06504858 167.5
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.