CID 24273702

1228879-06-8

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

COC1=CC=C(C=C1)C2(CCC2)N

InChI

InChI=1S/C11H15NO/c1-13-10-5-3-9(4-6-10)11(12)7-2-8-11/h3-6H,2,7-8,12H2,1H3

InChIKey

LHPLFXKYTQGLLU-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 177.11537 Da
Monoisotopic Mass: 1.5
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]+	178.12265	138.0
[M+Na]+	200.10459	143.9
[M-H]-	176.10809	144.3
[M+NH4]+	195.14919	153.1
[M+K]+	216.07853	144.9
[M+H-H2O]+	160.11263	127.2
[M+HCOO]-	222.11357	160.7
[M+CH3COO]-	236.12922	185.7
[M+Na-2H]-	198.09004	144.3
[M]+	177.11482	144.8
[M]-	177.11592	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe