CID 10866800

72594-75-3

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

CN1CCC(C2=CC=CC=C21)C#N

InChI

InChI=1S/C11H12N2/c1-13-7-6-9(8-12)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3

InChIKey

ZGULSESLFUXZGL-UHFFFAOYSA-N

Compound name

1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.10005 Da
Monoisotopic Mass: 1.9
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]+	173.107326	136.4
[M+Na]+	195.089268	146.7
[M-H]-	171.092774	138.7
[M+NH4]+	190.133873	154.7
[M+K]+	211.063208	141.5
[M+H-H2O]+	155.097310	123.5
[M+HCOO]-	217.098251	152.8
[M+CH3COO]-	231.113901	148.0
[M+Na-2H]-	193.074716	143.0
[M]+	172.09950142	129.3
[M]-	172.10059858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe