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]+ 193.122316 146.3
[M+Na]+ 215.104258 152.2
[M-H]- 191.107764 144.5
[M+NH4]+ 210.148863 165.3
[M+K]+ 231.078198 147.9
[M+H-H2O]+ 175.112300 141.5
[M+HCOO]- 237.113241 167.2
[M+CH3COO]- 251.128891 180.2
[M+Na-2H]- 213.089706 148.6
[M]+ 192.11449142 146.4
[M]- 192.11558858 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.