CID 14002347

112269-97-3

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CC1=NC(CCC1)(C)C

InChI

InChI=1S/C8H15N/c1-7-5-4-6-8(2,3)9-7/h4-6H2,1-3H3

InChIKey

SFYJEAZZQIBMIW-UHFFFAOYSA-N

Compound name

2,2,6-trimethyl-4,5-dihydro-3H-pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 125.12045 Da
Monoisotopic Mass: 1.0
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]+	126.127726	125.8
[M+Na]+	148.109668	133.5
[M-H]-	124.113174	128.2
[M+NH4]+	143.154273	149.1
[M+K]+	164.083608	132.7
[M+H-H2O]+	108.117710	120.7
[M+HCOO]-	170.118651	146.6
[M+CH3COO]-	184.134301	172.4
[M+Na-2H]-	146.095116	133.2
[M]+	125.11990142	123.7
[M]-	125.12099858	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe