CID 205520

18136-37-3

Structural Information

Molecular Formula

C₉H₁₄N

SMILES

CC(C)C1=CC=[N+](C=C1)C

InChI

InChI=1S/C9H14N/c1-8(2)9-4-6-10(3)7-5-9/h4-8H,1-3H3/q+1

InChIKey

CMXBQIXDSZWXAJ-UHFFFAOYSA-N

Compound name

1-methyl-4-propan-2-ylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 136.11263 Da
Monoisotopic Mass: 2.1
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]+	137.11991	128.3
[M+Na]+	159.10185	136.6
[M-H]-	135.10535	131.3
[M+NH4]+	154.14645	149.0
[M+K]+	175.07579	129.8
[M+H-H2O]+	119.10989	125.2
[M+HCOO]-	181.11083	150.5
[M+CH3COO]-	195.12648	169.5
[M+Na-2H]-	157.08730	137.1
[M]+	136.11208	127.4
[M]-	136.11318	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe