CID 3057993

74332-97-1

Structural Information

Molecular Formula

C₁₂H₁₈NO

SMILES

CC1=CC(=[N+]2CCCCC2)C=C(O1)C

InChI

InChI=1S/C12H18NO/c1-10-8-12(9-11(2)14-10)13-6-4-3-5-7-13/h8-9H,3-7H2,1-2H3/q+1

InChIKey

GPCDHHMZCWGQDW-UHFFFAOYSA-N

Compound name

1-(2,6-dimethylpyran-4-ylidene)piperidin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.13884 Da
Monoisotopic Mass: 1.5
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]+	193.14612	144.0
[M+Na]+	215.12806	150.6
[M-H]-	191.13156	149.9
[M+NH4]+	210.17266	160.7
[M+K]+	231.10200	143.3
[M+H-H2O]+	175.13610	139.2
[M+HCOO]-	237.13704	162.6
[M+CH3COO]-	251.15269	175.8
[M+Na-2H]-	213.11351	151.7
[M]+	192.13829	139.4
[M]-	192.13939	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe