CID 129320371

(2e,5s,6e,8e,10e)-5-hydroxydodeca-2,6,8,10-tetraenal

Structural Information

Molecular Formula
C12H16O2
SMILES
C/C=C/C=C/C=C/[C@H](C/C=C/C=O)O
InChI
InChI=1S/C12H16O2/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,11-12,14H,10H2,1H3/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1
InChIKey
DGTDQLBODFQKFP-QHHLHPODSA-N
Compound name
(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 146.3
[M+Na]+ 215.10426 152.2
[M-H]- 191.10776 144.5
[M+NH4]+ 210.14886 165.3
[M+K]+ 231.07820 147.9
[M+H-H2O]+ 175.11230 141.5
[M+HCOO]- 237.11324 167.2
[M+CH3COO]- 251.12889 180.2
[M+Na-2H]- 213.08971 148.6
[M]+ 192.11449 146.4
[M]- 192.11559 146.4
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

No patent data available for this compound.