CID 93350

64011-53-6

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C1CC(CC=C1)C(CO)O

InChI

InChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h1-2,7-10H,3-6H2

InChIKey

NPZGQIIAVOOHNM-UHFFFAOYSA-N

Compound name

1-cyclohex-3-en-1-ylethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 142.09938 Da
Monoisotopic Mass: 0.7
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]+	143.106656	131.2
[M+Na]+	165.088598	135.8
[M-H]-	141.092104	131.4
[M+NH4]+	160.133203	151.1
[M+K]+	181.062538	134.3
[M+H-H2O]+	125.096640	126.2
[M+HCOO]-	187.097581	149.6
[M+CH3COO]-	201.113231	168.6
[M+Na-2H]-	163.074046	135.7
[M]+	142.09883142	126.3
[M]-	142.09992858	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe