CID 205008

17184-83-7

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CCCC1(CN(C1)C)C2=CC(=CC=C2)O

InChI

InChI=1S/C13H19NO/c1-3-7-13(9-14(2)10-13)11-5-4-6-12(15)8-11/h4-6,8,15H,3,7,9-10H2,1-2H3

InChIKey

CFDYNSALJJBAEH-UHFFFAOYSA-N

Compound name

3-(1-methyl-3-propylazetidin-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.14667 Da
Monoisotopic Mass: 2.9
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]+	206.15395	147.0
[M+Na]+	228.13589	153.7
[M-H]-	204.13939	151.1
[M+NH4]+	223.18049	160.0
[M+K]+	244.10983	153.5
[M+H-H2O]+	188.14393	136.0
[M+HCOO]-	250.14487	166.1
[M+CH3COO]-	264.16052	188.6
[M+Na-2H]-	226.12134	151.9
[M]+	205.14612	155.3
[M]-	205.14722	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe