CID 13895495

(6e)-8-hydroxygeranial

Structural Information

Molecular Formula
C10H16O2
SMILES
C/C(=C\C=O)/CC/C=C(\C)/CO
InChI
InChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-7,12H,3-4,8H2,1-2H3/b9-6+,10-5+
InChIKey
WTWGQWLNUNSMGM-TXFIJWAUSA-N
Compound name
(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

168.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 140.4
[M+Na]+ 191.10426 146.2
[M-H]- 167.10776 138.9
[M+NH4]+ 186.14886 160.3
[M+K]+ 207.07820 144.0
[M+H-H2O]+ 151.11230 135.8
[M+HCOO]- 213.11324 160.5
[M+CH3COO]- 227.12889 178.1
[M+Na-2H]- 189.08971 142.4
[M]+ 168.11449 140.6
[M]- 168.11559 140.6
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