CID 55287462

802544-12-3

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CNCC1CC2=CC=CC=C12

InChI

InChI=1S/C10H13N/c1-11-7-9-6-8-4-2-3-5-10(8)9/h2-5,9,11H,6-7H2,1H3

InChIKey

ZBFCCKYWPYJJDO-UHFFFAOYSA-N

Compound name

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 147.1048 Da
Monoisotopic Mass: 1.1
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]+	148.11208	128.2
[M+Na]+	170.09402	136.6
[M+NH4]+	165.13862	134.5
[M+K]+	186.06796	131.1
[M-H]-	146.09752	129.2
[M+Na-2H]-	168.07947	133.1
[M]+	147.10425	128.5
[M]-	147.10535	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe