CID 68767904

1803588-68-2

Structural Information

Molecular Formula
C12H21NO6S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)S(=O)(=O)C
InChI
InChI=1S/C12H21NO6S/c1-11(2,3)19-10(16)13-7-5-12(6-8-13,9(14)15)20(4,17)18/h5-8H2,1-4H3,(H,14,15)
InChIKey
FOZPYZXHNXXAHO-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.10895 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11623 165.6
[M+Na]+ 330.09817 170.4
[M-H]- 306.10167 165.6
[M+NH4]+ 325.14277 180.5
[M+K]+ 346.07211 170.0
[M+H-H2O]+ 290.10621 161.4
[M+HCOO]- 352.10715 173.8
[M+CH3COO]- 366.12280 195.8
[M+Na-2H]- 328.08362 168.1
[M]+ 307.10840 167.6
[M]- 307.10950 167.6
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