CID 67033379

Methyl 6,6-dimethylpiperidine-3-carboxylate

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC1(CCC(CN1)C(=O)OC)C

InChI

InChI=1S/C9H17NO2/c1-9(2)5-4-7(6-10-9)8(11)12-3/h7,10H,4-6H2,1-3H3

InChIKey

ZSZCHXGCKWYCSB-UHFFFAOYSA-N

Compound name

methyl 6,6-dimethylpiperidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 171.12593 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.13321	139.9
[M+Na]+	194.11515	149.6
[M+NH4]+	189.15975	148.7
[M+K]+	210.08909	142.9
[M-H]-	170.11865	139.9
[M+Na-2H]-	192.10060	144.8
[M]+	171.12538	141.1
[M]-	171.12648	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe