CID 14322402

(3-phenylazetidin-3-yl)methanol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1C(CN1)(CO)C2=CC=CC=C2

InChI

InChI=1S/C10H13NO/c12-8-10(6-11-7-10)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2

InChIKey

BGORPCNZTLVDOY-UHFFFAOYSA-N

Compound name

(3-phenylazetidin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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	133.7
[M+Na]+	186.08894	141.4
[M+NH4]+	181.13354	139.7
[M+K]+	202.06288	135.3
[M-H]-	162.09244	133.5
[M+Na-2H]-	184.07439	140.3
[M]+	163.09917	133.6
[M]-	163.10027	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe