CID 51072294

Methyl 4-methylpiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC1(CCNCC1)C(=O)OC

InChI

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

InChIKey

KMROKLMQVGAOMJ-UHFFFAOYSA-N

Compound name

methyl 4-methylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 257
Patents: 157.11028 Da
Monoisotopic Mass: 0.5
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]+	158.117556	135.5
[M+Na]+	180.099498	140.8
[M-H]-	156.103004	135.7
[M+NH4]+	175.144103	156.1
[M+K]+	196.073438	140.0
[M+H-H2O]+	140.107540	130.1
[M+HCOO]-	202.108481	152.9
[M+CH3COO]-	216.124131	172.3
[M+Na-2H]-	178.084946	140.6
[M]+	157.10973142	131.1
[M]-	157.11082858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe