CID 529348

13854-03-0

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CC1=NC=CC(=C1)C(C)C

InChI

InChI=1S/C9H13N/c1-7(2)9-4-5-10-8(3)6-9/h4-7H,1-3H3

InChIKey

YWVVIBOXHWIQMY-UHFFFAOYSA-N

Compound name

2-methyl-4-propan-2-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 696
Patents: 135.1048 Da
Monoisotopic Mass: 2.4
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]+	136.112076	127.6
[M+Na]+	158.094018	135.8
[M-H]-	134.097524	130.2
[M+NH4]+	153.138623	148.5
[M+K]+	174.067958	134.4
[M+H-H2O]+	118.102060	121.6
[M+HCOO]-	180.103001	149.9
[M+CH3COO]-	194.118651	176.0
[M+Na-2H]-	156.079466	134.2
[M]+	135.10425142	127.8
[M]-	135.10534858	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe