CID 2733085

75507-26-5

Structural Information

Molecular Formula

C₉H₁₈O₅

SMILES

C1COCCOC(COCCO1)CO

InChI

InChI=1S/C9H18O5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9-10H,1-8H2

InChIKey

NJIPEIQHUNDGPY-UHFFFAOYSA-N

Compound name

1,4,7,10-tetraoxacyclododec-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 371
Patents: 206.11542 Da
Monoisotopic Mass: -1.2
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]+	207.12270	144.4
[M+Na]+	229.10464	147.4
[M-H]-	205.10814	145.9
[M+NH4]+	224.14924	154.0
[M+K]+	245.07858	152.5
[M+H-H2O]+	189.11268	142.3
[M+HCOO]-	251.11362	157.7
[M+CH3COO]-	265.12927	173.8
[M+Na-2H]-	227.09009	151.3
[M]+	206.11487	139.7
[M]-	206.11597	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe