CID 21282

5220-39-3

Structural Information

Molecular Formula

C₁₄H₁₅NO

SMILES

C1CCC2=C(CC1)NC3=CC=CC=C3C2=O

InChI

InChI=1S/C14H15NO/c16-14-10-6-2-1-3-8-12(10)15-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H,15,16)

InChIKey

LDMBBNQWWBTULE-UHFFFAOYSA-N

Compound name

5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 0
Patents: 213.11537 Da
Monoisotopic Mass: 3.3
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]+	214.12265	143.9
[M+Na]+	236.10459	150.6
[M-H]-	212.10809	147.7
[M+NH4]+	231.14919	161.7
[M+K]+	252.07853	149.3
[M+H-H2O]+	196.11263	138.5
[M+HCOO]-	258.11357	160.9
[M+CH3COO]-	272.12922	155.4
[M+Na-2H]-	234.09004	151.5
[M]+	213.11482	137.7
[M]-	213.11592	137.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.