CID 71332386

2,6-dimethylhept-6-ene-2,3-diol

Structural Information

Molecular Formula
C9H18O2
SMILES
CC(=C)CCC(C(C)(C)O)O
InChI
InChI=1S/C9H18O2/c1-7(2)5-6-8(10)9(3,4)11/h8,10-11H,1,5-6H2,2-4H3
InChIKey
OSTJSCLDWFZDSA-UHFFFAOYSA-N
Compound name
2,6-dimethylhept-6-ene-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 138.3
[M+Na]+ 181.119898 143.8
[M-H]- 157.123404 135.8
[M+NH4]+ 176.164503 158.1
[M+K]+ 197.093838 142.6
[M+H-H2O]+ 141.127940 134.7
[M+HCOO]- 203.128881 155.3
[M+CH3COO]- 217.144531 176.0
[M+Na-2H]- 179.105346 141.0
[M]+ 158.13013142 137.3
[M]- 158.13122858 137.3
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.