CID 13287120

Pyridine, 3-(2,2-dimethylpropyl)-

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC(C)(C)CC1=CN=CC=C1

InChI

InChI=1S/C10H15N/c1-10(2,3)7-9-5-4-6-11-8-9/h4-6,8H,7H2,1-3H3

InChIKey

RQHPEPIGRLVQKS-UHFFFAOYSA-N

Compound name

3-(2,2-dimethylpropyl)pyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 952
Patents: 149.12045 Da
Monoisotopic Mass: 2.8
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]+	150.12773	133.1
[M+Na]+	172.10967	140.8
[M-H]-	148.11317	135.4
[M+NH4]+	167.15427	153.5
[M+K]+	188.08361	139.1
[M+H-H2O]+	132.11771	127.3
[M+HCOO]-	194.11865	154.6
[M+CH3COO]-	208.13430	176.8
[M+Na-2H]-	170.09512	141.6
[M]+	149.11990	133.4
[M]-	149.12100	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe