CID 28901586

3-phenylazetidine hydrochloride

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C1C(CN1)C2=CC=CC=C2

InChI

InChI=1S/C9H11N/c1-2-4-8(5-3-1)9-6-10-7-9/h1-5,9-10H,6-7H2

InChIKey

XOZGEXKQMVAILQ-UHFFFAOYSA-N

Compound name

3-phenylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 504
Patents: 133.08914 Da
Monoisotopic Mass: 1.3
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]+	134.09642	123.2
[M+Na]+	156.07836	129.1
[M-H]-	132.08186	126.9
[M+NH4]+	151.12296	136.6
[M+K]+	172.05230	129.3
[M+H-H2O]+	116.08640	111.8
[M+HCOO]-	178.08734	143.5
[M+CH3COO]-	192.10299	173.3
[M+Na-2H]-	154.06381	131.1
[M]+	133.08859	127.8
[M]-	133.08969	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe