CID 3015780

(((phenylmethoxy)methoxy)methoxy)methanol

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

C1=CC=C(C=C1)COCOCOCO

InChI

InChI=1S/C10H14O4/c11-7-13-9-14-8-12-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2

InChIKey

VSPMOFKIMQJPCS-UHFFFAOYSA-N

Compound name

phenylmethoxymethoxymethoxymethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 198.0892 Da
Monoisotopic Mass: 0.9
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]+	199.096476	141.3
[M+Na]+	221.078418	147.6
[M-H]-	197.081924	143.1
[M+NH4]+	216.123023	159.6
[M+K]+	237.052358	146.6
[M+H-H2O]+	181.086460	134.9
[M+HCOO]-	243.087401	164.9
[M+CH3COO]-	257.103051	179.8
[M+Na-2H]-	219.063866	148.5
[M]+	198.08865142	145.4
[M]-	198.08974858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe