CID 11288137

256474-06-3

Structural Information

Molecular Formula

C₁₆H₂₇NO

SMILES

CCCN(CCC)C1CCC2=C(C1)CCCC2=O

InChI

InChI=1S/C16H27NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h14H,3-12H2,1-2H3

InChIKey

JTYVLKBMXTUORS-UHFFFAOYSA-N

Compound name

6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 13
Patents: 249.20926 Da
Monoisotopic Mass: 3.0
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]+	250.21654	161.7
[M+Na]+	272.19848	171.8
[M+NH4]+	267.24308	170.9
[M+K]+	288.17242	164.1
[M-H]-	248.20198	165.3
[M+Na-2H]-	270.18393	165.6
[M]+	249.20871	164.0
[M]-	249.20981	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe