CID 166084313

Tert-butyl 6-(chlorosulfonyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula
C10H17ClN2O4S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CN(C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H17ClN2O4S/c1-9(2,3)17-8(14)12-4-10(5-12)6-13(7-10)18(11,15)16/h4-7H2,1-3H3
InChIKey
FOXUAIPOOGOSHC-UHFFFAOYSA-N
Compound name
tert-butyl 2-chlorosulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

296.05975 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06703 148.2
[M+Na]+ 319.04897 151.8
[M-H]- 295.05247 150.1
[M+NH4]+ 314.09357 151.1
[M+K]+ 335.02291 155.5
[M+H-H2O]+ 279.05701 134.0
[M+HCOO]- 341.05795 152.3
[M+CH3COO]- 355.07360 205.2
[M+Na-2H]- 317.03442 151.4
[M]+ 296.05920 168.1
[M]- 296.06030 168.1
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

patents stripe