CID 15276226

(6e)-8-oxolinalool

Structural Information

Molecular Formula
C10H16O2
SMILES
C/C(=C\CCC(C)(C=C)O)/C=O
InChI
InChI=1S/C10H16O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,8,12H,1,5,7H2,2-3H3/b9-6+
InChIKey
HRVZNWRZLYDLBU-RMKNXTFCSA-N
Compound name
(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

168.11504 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 139.2
[M+Na]+ 191.10426 145.6
[M-H]- 167.10776 137.9
[M+NH4]+ 186.14886 159.3
[M+K]+ 207.07820 143.4
[M+H-H2O]+ 151.11230 135.3
[M+HCOO]- 213.11324 158.8
[M+CH3COO]- 227.12889 178.2
[M+Na-2H]- 189.08971 143.3
[M]+ 168.11449 139.8
[M]- 168.11559 139.8
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