CID 198121

Ciba 37059ba

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

CCNCC1=C2C=C(C=CC2=C1)OC

InChI

InChI=1S/C12H15NO/c1-3-13-8-10-6-9-4-5-11(14-2)7-12(9)10/h4-7,13H,3,8H2,1-2H3

InChIKey

CUTJMGMDBIVMAO-UHFFFAOYSA-N

Compound name

N-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.11537 Da
Monoisotopic Mass: 0.9
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]+	190.12265	137.6
[M+Na]+	212.10459	147.3
[M+NH4]+	207.14919	143.1
[M+K]+	228.07853	141.6
[M-H]-	188.10809	138.4
[M+Na-2H]-	210.09004	143.1
[M]+	189.11482	138.2
[M]-	189.11592	138.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.