CID 72607084

2,6-dimethylnon-6-ene-2,3-diol

Structural Information

Molecular Formula
C11H22O2
SMILES
CCC=C(C)CCC(C(C)(C)O)O
InChI
InChI=1S/C11H22O2/c1-5-6-9(2)7-8-10(12)11(3,4)13/h6,10,12-13H,5,7-8H2,1-4H3
InChIKey
PKGAGSCLLCUOTF-UHFFFAOYSA-N
Compound name
2,6-dimethylnon-6-ene-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.16199 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.169266 147.9
[M+Na]+ 209.151208 152.6
[M-H]- 185.154714 145.0
[M+NH4]+ 204.195813 166.5
[M+K]+ 225.125148 150.9
[M+H-H2O]+ 169.159250 143.8
[M+HCOO]- 231.160191 164.2
[M+CH3COO]- 245.175841 181.3
[M+Na-2H]- 207.136656 149.5
[M]+ 186.16144142 147.5
[M]- 186.16253858 147.5
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

No patent data available for this compound.