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

75
Patents

257.16272 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 159.2
[M+Na]+ 280.15194 164.4
[M-H]- 256.15544 160.9
[M+NH4]+ 275.19654 177.0
[M+K]+ 296.12588 165.0
[M+H-H2O]+ 240.15998 154.1
[M+HCOO]- 302.16092 174.7
[M+CH3COO]- 316.17657 193.6
[M+Na-2H]- 278.13739 162.0
[M]+ 257.16217 160.1
[M]- 257.16327 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