CID 25376

10558-56-2

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC(C)OC(=O)C1=CCCN(C1)C

InChI

InChI=1S/C10H17NO2/c1-8(2)13-10(12)9-5-4-6-11(3)7-9/h5,8H,4,6-7H2,1-3H3

InChIKey

UCCRGRWAACBLFP-UHFFFAOYSA-N

Compound name

propan-2-yl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.12593 Da
Monoisotopic Mass: 1.1
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]+	184.133206	141.5
[M+Na]+	206.115148	147.2
[M-H]-	182.118654	143.2
[M+NH4]+	201.159753	160.1
[M+K]+	222.089088	146.8
[M+H-H2O]+	166.123190	135.0
[M+HCOO]-	228.124131	160.2
[M+CH3COO]-	242.139781	183.0
[M+Na-2H]-	204.100596	144.1
[M]+	183.12538142	140.6
[M]-	183.12647858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.