CID 239243

1-piperidinecarboxylic acid, isopropyl ester

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(C)OC(=O)N1CCCCC1

InChI

InChI=1S/C9H17NO2/c1-8(2)12-9(11)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3

InChIKey

NVMHDJQDTCMXLH-UHFFFAOYSA-N

Compound name

propan-2-yl piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 352
Patents: 171.12593 Da
Monoisotopic Mass: 1.8
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]+	172.133206	139.8
[M+Na]+	194.115148	144.0
[M-H]-	170.118654	141.0
[M+NH4]+	189.159753	158.6
[M+K]+	210.089088	144.2
[M+H-H2O]+	154.123190	133.3
[M+HCOO]-	216.124131	157.4
[M+CH3COO]-	230.139781	178.6
[M+Na-2H]-	192.100596	142.6
[M]+	171.12538142	136.7
[M]-	171.12647858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe