CID 2758715

72351-36-1

Structural Information

Molecular Formula

C₁₇H₁₉NO

SMILES

C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)CO

InChI

InChI=1S/C17H19NO/c19-13-14-11-18(12-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17,19H,11-13H2

InChIKey

GEFUGGQLCNKIQP-UHFFFAOYSA-N

Compound name

(1-benzhydrylazetidin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 230
Patents: 253.14667 Da
Monoisotopic Mass: 2.8
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]+	254.15395	156.6
[M+Na]+	276.13589	160.8
[M-H]-	252.13939	162.6
[M+NH4]+	271.18049	164.6
[M+K]+	292.10983	159.4
[M+H-H2O]+	236.14393	142.6
[M+HCOO]-	298.14487	174.6
[M+CH3COO]-	312.16052	196.4
[M+Na-2H]-	274.12134	160.5
[M]+	253.14612	162.2
[M]-	253.14722	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe