CID 89802642

(s,e)-2,6-dimethyl-5,7-octadiene-2,3-diol

Structural Information

Molecular Formula
C10H18O2
SMILES
C/C(=C\CC(C(C)(C)O)O)/C=C
InChI
InChI=1S/C10H18O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5-6,9,11-12H,1,7H2,2-4H3/b8-6+
InChIKey
BTHAWHOTHGQIKC-SOFGYWHQSA-N
Compound name
(5E)-2,6-dimethylocta-5,7-diene-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 141.5
[M+Na]+ 193.119898 147.0
[M-H]- 169.123404 138.8
[M+NH4]+ 188.164503 160.8
[M+K]+ 209.093838 144.9
[M+H-H2O]+ 153.127940 137.8
[M+HCOO]- 215.128881 158.4
[M+CH3COO]- 229.144531 177.4
[M+Na-2H]- 191.105346 143.7
[M]+ 170.13013142 140.1
[M]- 170.13122858 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe