CID 62655908

1273958-39-6

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

CC(C)CN1CCC(CC1)C=O

InChI

InChI=1S/C10H19NO/c1-9(2)7-11-5-3-10(8-12)4-6-11/h8-10H,3-7H2,1-2H3

InChIKey

YNUBRZVDSCYGLD-UHFFFAOYSA-N

Compound name

1-(2-methylpropyl)piperidine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 169.14667 Da
Monoisotopic Mass: 1.6
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]+	170.153946	140.3
[M+Na]+	192.135888	145.1
[M-H]-	168.139394	141.5
[M+NH4]+	187.180493	159.4
[M+K]+	208.109828	144.0
[M+H-H2O]+	152.143930	133.8
[M+HCOO]-	214.144871	158.3
[M+CH3COO]-	228.160521	181.2
[M+Na-2H]-	190.121336	143.0
[M]+	169.14612142	137.2
[M]-	169.14721858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe