CID 109127

61702-91-8

Structural Information

Molecular Formula

C₁₃H₁₅N

SMILES

CC(C)(C)C1=C2C=CC=NC2=CC=C1

InChI

InChI=1S/C13H15N/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12/h4-9H,1-3H3

InChIKey

CWVYYJOLOZEZOF-UHFFFAOYSA-N

Compound name

5-tert-butylquinoline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 378
Patents: 185.12045 Da
Monoisotopic Mass: 3.9
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]+	186.12773	141.6
[M+Na]+	208.10967	150.3
[M-H]-	184.11317	145.0
[M+NH4]+	203.15427	161.6
[M+K]+	224.08361	146.9
[M+H-H2O]+	168.11771	135.2
[M+HCOO]-	230.11865	161.9
[M+CH3COO]-	244.13430	184.3
[M+Na-2H]-	206.09512	150.9
[M]+	185.11990	142.0
[M]-	185.12100	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe