CID 115049136

Sodium {1-[(tert-butoxy)carbonyl]piperidin-4-yl}methanesulfinate

Structural Information

Molecular Formula
C11H21NO4S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CS(=O)O
InChI
InChI=1S/C11H21NO4S/c1-11(2,3)16-10(13)12-6-4-9(5-7-12)8-17(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKey
YZAZNGRMXCMPBP-UHFFFAOYSA-N
Compound name
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11914 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12642 160.0
[M+Na]+ 286.10836 164.2
[M-H]- 262.11186 160.0
[M+NH4]+ 281.15296 175.1
[M+K]+ 302.08230 162.9
[M+H-H2O]+ 246.11640 154.1
[M+HCOO]- 308.11734 169.3
[M+CH3COO]- 322.13299 190.0
[M+Na-2H]- 284.09381 159.1
[M]+ 263.11859 160.1
[M]- 263.11969 160.1
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

No patent data available for this compound.