CID 58284604

1-[(tert-butoxy)carbonyl]-6,6-dimethylpiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC1(CCC(CN1C(=O)OC(C)(C)C)C(=O)O)C
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-8-9(10(15)16)6-7-13(14,4)5/h9H,6-8H2,1-5H3,(H,15,16)
InChIKey
TYAWWEGUAJKCED-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

257.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 158.7
[M+Na]+ 280.151938 164.3
[M-H]- 256.155444 159.2
[M+NH4]+ 275.196543 176.0
[M+K]+ 296.125878 164.0
[M+H-H2O]+ 240.159980 154.2
[M+HCOO]- 302.160921 172.6
[M+CH3COO]- 316.176571 193.1
[M+Na-2H]- 278.137386 160.4
[M]+ 257.16217142 158.2
[M]- 257.16326858 158.2
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