CID 139596525

Schembl32668880

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

C1CCCCC(C2=C(CCCC1)CCCO2)O

InChI

InChI=1S/C15H26O2/c16-14-11-7-5-3-1-2-4-6-9-13-10-8-12-17-15(13)14/h14,16H,1-12H2

InChIKey

OYZWBFKOVRRZED-UHFFFAOYSA-N

Compound name

3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyran-14-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.19328 Da
Monoisotopic Mass: 3.9
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]+	239.200556	155.6
[M+Na]+	261.182498	157.1
[M-H]-	237.186004	155.3
[M+NH4]+	256.227103	169.0
[M+K]+	277.156438	156.4
[M+H-H2O]+	221.190540	152.6
[M+HCOO]-	283.191481	167.5
[M+CH3COO]-	297.207131	183.2
[M+Na-2H]-	259.167946	157.9
[M]+	238.19273142	144.2
[M]-	238.19382858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe