CID 14341295

1-(prop-2-yn-1-yl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula

C₁₂H₁₃N

SMILES

C#CCN1CCCC2=CC=CC=C21

InChI

InChI=1S/C12H13N/c1-2-9-13-10-5-7-11-6-3-4-8-12(11)13/h1,3-4,6,8H,5,7,9-10H2

InChIKey

UJAYWFNXOADEQB-UHFFFAOYSA-N

Compound name

1-prop-2-ynyl-3,4-dihydro-2H-quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 171.1048 Da
Monoisotopic Mass: 2.6
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]+	172.11208	137.2
[M+Na]+	194.09402	146.9
[M-H]-	170.09752	138.0
[M+NH4]+	189.13862	155.0
[M+K]+	210.06796	140.5
[M+H-H2O]+	154.10206	124.6
[M+HCOO]-	216.10300	151.2
[M+CH3COO]-	230.11865	148.1
[M+Na-2H]-	192.07947	143.3
[M]+	171.10425	129.2
[M]-	171.10535	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe