CID 2733744

75507-25-4

Structural Information

Molecular Formula

C₁₁H₂₂O₆

SMILES

C1COCCOCC(OCCOCCO1)CO

InChI

InChI=1S/C11H22O6/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11-12H,1-10H2

InChIKey

YHIQMMGCRYKJLB-UHFFFAOYSA-N

Compound name

1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 195
Patents: 250.14163 Da
Monoisotopic Mass: -1.4
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]+	251.14891	154.4
[M+Na]+	273.13085	162.7
[M+NH4]+	268.17545	159.3
[M+K]+	289.10479	160.6
[M-H]-	249.13435	161.6
[M+Na-2H]-	271.11630	155.7
[M]+	250.14108	157.1
[M]-	250.14218	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe