CID 378642

81471-55-8

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

CN(C)CC1CCCC2=CC=CC=C2C1=O

InChI

InChI=1S/C14H19NO/c1-15(2)10-12-8-5-7-11-6-3-4-9-13(11)14(12)16/h3-4,6,9,12H,5,7-8,10H2,1-2H3

InChIKey

KXZUEKMRAUIUJL-UHFFFAOYSA-N

Compound name

6-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 217.14667 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]+	218.153946	145.6
[M+Na]+	240.135888	150.2
[M-H]-	216.139394	152.1
[M+NH4]+	235.180493	164.5
[M+K]+	256.109828	152.5
[M+H-H2O]+	200.143930	140.5
[M+HCOO]-	262.144871	166.8
[M+CH3COO]-	276.160521	197.1
[M+Na-2H]-	238.121336	150.4
[M]+	217.14612142	142.2
[M]-	217.14721858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe