CID 84075528

1915004-58-8

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC1(CNCCC1C(=O)OC)C

InChI

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

InChIKey

OXWOWPPWADRGGB-UHFFFAOYSA-N

Compound name

methyl 3,3-dimethylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 171.12593 Da
Monoisotopic Mass: 1.0
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	139.0
[M+Na]+	194.11515	144.8
[M-H]-	170.11865	139.4
[M+NH4]+	189.15975	159.4
[M+K]+	210.08909	143.9
[M+H-H2O]+	154.12319	133.8
[M+HCOO]-	216.12413	156.1
[M+CH3COO]-	230.13978	176.4
[M+Na-2H]-	192.10060	143.0
[M]+	171.12538	135.4
[M]-	171.12648	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe