CID 46911995

Methyl1-boc-3-methylpiperidine-3-carboxylate

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-8-6-7-13(4,9-14)10(15)17-5/h6-9H2,1-5H3
InChIKey
QCXGMLPZKNFRRV-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl 3-methylpiperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

257.16272 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 159.2
[M+Na]+ 280.151938 164.4
[M-H]- 256.155444 160.9
[M+NH4]+ 275.196543 177.0
[M+K]+ 296.125878 165.0
[M+H-H2O]+ 240.159980 154.1
[M+HCOO]- 302.160921 174.7
[M+CH3COO]- 316.176571 193.6
[M+Na-2H]- 278.137386 162.0
[M]+ 257.16217142 160.1
[M]- 257.16326858 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

patents stripe