CID 5280678

(6e)-8-hydroxylinalool

Structural Information

Molecular Formula
C10H18O2
SMILES
C/C(=C\CCC(C)(C=C)O)/CO
InChI
InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+
InChIKey
NSMIMJYEKVSYMT-RMKNXTFCSA-N
Compound name
(2E)-2,6-dimethylocta-2,7-diene-1,6-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

181
Patents

170.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 141.9
[M+Na]+ 193.11990 147.5
[M-H]- 169.12340 139.1
[M+NH4]+ 188.16450 161.2
[M+K]+ 209.09384 145.0
[M+H-H2O]+ 153.12794 138.0
[M+HCOO]- 215.12888 159.7
[M+CH3COO]- 229.14453 176.5
[M+Na-2H]- 191.10535 145.3
[M]+ 170.13013 141.1
[M]- 170.13123 141.1
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

No patent data available for this compound.