CID 13495806

20364-30-1

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1(CCC2=CC=CC=C2N1)C

InChI

InChI=1S/C11H15N/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-6,12H,7-8H2,1-2H3

InChIKey

YJVRDLFDNAGZBT-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3,4-dihydro-1H-quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 161.12045 Da
Monoisotopic Mass: 2.9
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]+	162.12773	135.5
[M+Na]+	184.10967	143.0
[M-H]-	160.11317	137.1
[M+NH4]+	179.15427	157.5
[M+K]+	200.08361	139.4
[M+H-H2O]+	144.11771	129.5
[M+HCOO]-	206.11865	153.7
[M+CH3COO]-	220.13430	148.1
[M+Na-2H]-	182.09512	143.7
[M]+	161.11990	131.3
[M]-	161.12100	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe