CID 55264980

3-phenyloxolan-3-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1COCC1(C2=CC=CC=C2)N

InChI

InChI=1S/C10H13NO/c11-10(6-7-12-8-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2

InChIKey

VTUZZEWIKSPZNZ-UHFFFAOYSA-N

Compound name

3-phenyloxolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 163.09972 Da
Monoisotopic Mass: 0.6
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]+	164.10700	133.6
[M+Na]+	186.08894	140.1
[M-H]-	162.09244	140.4
[M+NH4]+	181.13354	155.8
[M+K]+	202.06288	138.9
[M+H-H2O]+	146.09698	127.9
[M+HCOO]-	208.09792	157.0
[M+CH3COO]-	222.11357	147.4
[M+Na-2H]-	184.07439	140.7
[M]+	163.09917	129.9
[M]-	163.10027	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe