CID 20377

1-ethyl-3-phenylazetidine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CCN1CC(C1)C2=CC=CC=C2

InChI

InChI=1S/C11H15N/c1-2-12-8-11(9-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3

InChIKey

MWQYROZEYNBIDS-UHFFFAOYSA-N

Compound name

1-ethyl-3-phenylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 161.12045 Da
Monoisotopic Mass: 2.2
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]+	162.127726	131.4
[M+Na]+	184.109668	137.8
[M-H]-	160.113174	136.5
[M+NH4]+	179.154273	144.7
[M+K]+	200.083608	138.3
[M+H-H2O]+	144.117710	119.6
[M+HCOO]-	206.118651	152.5
[M+CH3COO]-	220.134301	182.8
[M+Na-2H]-	182.095116	138.0
[M]+	161.11990142	138.8
[M]-	161.12099858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe