CID 13205595

72540-77-3

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC1(CCCCN1)C(=O)OC

InChI

InChI=1S/C8H15NO2/c1-8(7(10)11-2)5-3-4-6-9-8/h9H,3-6H2,1-2H3

InChIKey

ZAPUGMTZFAFQMT-UHFFFAOYSA-N

Compound name

methyl 2-methylpiperidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 157.11028 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]+	158.11756	135.5
[M+Na]+	180.09950	140.8
[M-H]-	156.10300	135.7
[M+NH4]+	175.14410	156.1
[M+K]+	196.07344	140.0
[M+H-H2O]+	140.10754	130.1
[M+HCOO]-	202.10848	152.9
[M+CH3COO]-	216.12413	172.3
[M+Na-2H]-	178.08495	140.6
[M]+	157.10973	131.1
[M]-	157.11083	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe