CID 45043243

N-benzyloxetan-3-amine

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1C(CO1)NCC2=CC=CC=C2

InChI

InChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-11-10-7-12-8-10/h1-5,10-11H,6-8H2

InChIKey

DSGHRPVYBGSMIO-UHFFFAOYSA-N

Compound name

N-benzyloxetan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 163.09972 Da
Monoisotopic Mass: 1.0
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	132.7
[M+Na]+	186.08894	140.6
[M+NH4]+	181.13354	138.2
[M+K]+	202.06288	136.0
[M-H]-	162.09244	135.8
[M+Na-2H]-	184.07439	138.6
[M]+	163.09917	133.5
[M]-	163.10027	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe