CID 545822

Propan-2-yl piperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(C)OC(=O)C1CCNCC1

InChI

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

InChIKey

DCYUJGGJVYIWAG-UHFFFAOYSA-N

Compound name

propan-2-yl piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 171.12593 Da
Monoisotopic Mass: 0.9
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	140.2
[M+Na]+	194.11515	149.0
[M+NH4]+	189.15975	147.3
[M+K]+	210.08909	144.5
[M-H]-	170.11865	139.9
[M+Na-2H]-	192.10060	143.3
[M]+	171.12538	140.9
[M]-	171.12648	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe