CID 11571886

(5-phenyloxolan-2-yl)methanamine

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CC(OC1CN)C2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2

InChIKey

IAIACGGIZWXQIK-UHFFFAOYSA-N

Compound name

(5-phenyloxolan-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 177.11537 Da
Monoisotopic Mass: 1.2
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	138.4
[M+Na]+	200.10459	144.4
[M-H]-	176.10809	145.0
[M+NH4]+	195.14919	158.3
[M+K]+	216.07853	142.8
[M+H-H2O]+	160.11263	132.1
[M+HCOO]-	222.11357	161.5
[M+CH3COO]-	236.12922	180.8
[M+Na-2H]-	198.09004	143.2
[M]+	177.11482	135.1
[M]-	177.11592	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe