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]+ 296.07178 147.5
[M+Na]+ 318.05372 150.9
[M-H]- 294.05722 150.7
[M+NH4]+ 313.09832 151.7
[M+K]+ 334.02766 154.3
[M+H-H2O]+ 278.06176 134.1
[M+HCOO]- 340.06270 152.5
[M+CH3COO]- 354.07835 205.4
[M+Na-2H]- 316.03917 150.5
[M]+ 295.06395 167.5
[M]- 295.06505 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.