CID 171119152

8-hydroxy-3e,5e,10e,12-tridecatetraen-2-one

Structural Information

Molecular Formula
C13H18O2
SMILES
CC(=O)/C=C/C=C/CC(C/C=C/C=C)O
InChI
InChI=1S/C13H18O2/c1-3-4-6-10-13(15)11-8-5-7-9-12(2)14/h3-9,13,15H,1,10-11H2,2H3/b6-4+,8-5+,9-7+
InChIKey
WLKGLBGVBUEPDA-MRTDFIMESA-N
Compound name
(3E,5E,10E)-8-hydroxytrideca-3,5,10,12-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 150.9
[M+Na]+ 229.11990 156.1
[M-H]- 205.12340 148.9
[M+NH4]+ 224.16450 169.2
[M+K]+ 245.09384 152.0
[M+H-H2O]+ 189.12794 145.9
[M+HCOO]- 251.12888 170.5
[M+CH3COO]- 265.14453 184.8
[M+Na-2H]- 227.10535 151.4
[M]+ 206.13013 150.8
[M]- 206.13123 150.8
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.