CID 68374643

2408964-93-0

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CC1(CC=CCN1)C

InChI

InChI=1S/C7H13N/c1-7(2)5-3-4-6-8-7/h3-4,8H,5-6H2,1-2H3

InChIKey

SDGVSROPEMTMQV-UHFFFAOYSA-N

Compound name

6,6-dimethyl-2,5-dihydro-1H-pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 111.1048 Da
Monoisotopic Mass: 1.1
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]+	112.112076	123.4
[M+Na]+	134.094018	130.1
[M-H]-	110.097524	124.1
[M+NH4]+	129.138623	146.1
[M+K]+	150.067958	128.6
[M+H-H2O]+	94.102060	118.4
[M+HCOO]-	156.103001	143.0
[M+CH3COO]-	170.118651	165.6
[M+Na-2H]-	132.079466	131.3
[M]+	111.10425142	118.6
[M]-	111.10534858	118.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe