CID 145913424

2147925-37-7

Structural Information

Molecular Formula

C₁₂H₂₁NO

SMILES

CCCC1(CCCN(C1)CCC#C)O

InChI

InChI=1S/C12H21NO/c1-3-5-9-13-10-6-8-12(14,11-13)7-4-2/h1,14H,4-11H2,2H3

InChIKey

BNJADFBJLVVVAD-UHFFFAOYSA-N

Compound name

1-but-3-ynyl-3-propylpiperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.16231 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]+	196.16959	145.7
[M+Na]+	218.15153	155.7
[M+NH4]+	213.19613	151.1
[M+K]+	234.12547	144.7
[M-H]-	194.15503	138.5
[M+Na-2H]-	216.13698	148.1
[M]+	195.16176	144.3
[M]-	195.16286	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.