CID 57509397

Guaidiol

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CC(=C)C1CCC(C2CCC(C2C1)(C)O)(C)O

InChI

InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h11-13,16-17H,1,5-9H2,2-4H3

InChIKey

RQHOQQOEZPFYTD-UHFFFAOYSA-N

Compound name

1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.19328 Da
Monoisotopic Mass: 2.7
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	154.7
[M+Na]+	261.182498	158.9
[M-H]-	237.186004	157.2
[M+NH4]+	256.227103	176.4
[M+K]+	277.156438	157.7
[M+H-H2O]+	221.190540	151.6
[M+HCOO]-	283.191481	167.9
[M+CH3COO]-	297.207131	191.3
[M+Na-2H]-	259.167946	154.7
[M]+	238.19273142	147.0
[M]-	238.19382858	147.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.