CID 79001917

3-(o-tolyl)azetidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CC1=CC=CC=C1C2CNC2

InChI

InChI=1S/C10H13N/c1-8-4-2-3-5-10(8)9-6-11-7-9/h2-5,9,11H,6-7H2,1H3

InChIKey

YPVGFOIHROASLL-UHFFFAOYSA-N

Compound name

3-(2-methylphenyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 147.1048 Da
Monoisotopic Mass: 1.7
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]+	148.11208	128.3
[M+Na]+	170.09402	134.6
[M-H]-	146.09752	132.2
[M+NH4]+	165.13862	141.4
[M+K]+	186.06796	134.6
[M+H-H2O]+	130.10206	116.9
[M+HCOO]-	192.10300	148.2
[M+CH3COO]-	206.11865	177.2
[M+Na-2H]-	168.07947	134.8
[M]+	147.10425	133.6
[M]-	147.10535	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe