CID 2793014

493-50-5

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CN1CCCC2=C1C=CC(=C2)C=O

InChI

InChI=1S/C11H13NO/c1-12-6-2-3-10-7-9(8-13)4-5-11(10)12/h4-5,7-8H,2-3,6H2,1H3

InChIKey

XPXZIZIGEKZVMQ-UHFFFAOYSA-N

Compound name

1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 74
Patents: 175.09972 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]+	176.10700	136.3
[M+Na]+	198.08894	144.5
[M-H]-	174.09244	139.3
[M+NH4]+	193.13354	156.6
[M+K]+	214.06288	141.5
[M+H-H2O]+	158.09698	129.7
[M+HCOO]-	220.09792	156.4
[M+CH3COO]-	234.11357	181.5
[M+Na-2H]-	196.07439	143.4
[M]+	175.09917	134.9
[M]-	175.10027	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe