CID 6365614

65166-19-0

Structural Information

Molecular Formula

C₁₆H₃₂O₃

SMILES

CCCCCCCCCCCCCC(O)OC(=O)C

InChI

InChI=1S/C16H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)19-15(2)17/h16,18H,3-14H2,1-2H3

InChIKey

PXIJHDFUUKDQMU-UHFFFAOYSA-N

Compound name

1-hydroxytetradecyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 272.23514 Da
Monoisotopic Mass: 6.3
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]+	273.242416	174.1
[M+Na]+	295.224358	176.6
[M-H]-	271.227864	171.2
[M+NH4]+	290.268963	189.8
[M+K]+	311.198298	174.6
[M+H-H2O]+	255.232400	167.8
[M+HCOO]-	317.233341	192.0
[M+CH3COO]-	331.248991	200.6
[M+Na-2H]-	293.209806	172.7
[M]+	272.23459142	179.5
[M]-	272.23568858	179.5

Literature stripe

literature stripe

Patent stripe

patents stripe