CID 20387250

(cyclohex-2-ene-1,1-diyl)dimethanol

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CC=CC(C1)(CO)CO
InChI
InChI=1S/C8H14O2/c9-6-8(7-10)4-2-1-3-5-8/h2,4,9-10H,1,3,5-7H2
InChIKey
QBRPPCVQOLMIJM-UHFFFAOYSA-N
Compound name
[1-(hydroxymethyl)cyclohex-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

457
Patents

142.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 131.0
[M+Na]+ 165.088598 136.8
[M-H]- 141.092104 131.6
[M+NH4]+ 160.133203 153.0
[M+K]+ 181.062538 135.0
[M+H-H2O]+ 125.096640 126.8
[M+HCOO]- 187.097581 150.4
[M+CH3COO]- 201.113231 167.3
[M+Na-2H]- 163.074046 137.8
[M]+ 142.09883142 127.1
[M]- 142.09992858 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe