CID 101412911

10-hydroxydeca-trans-2,trans-8-dien-4,6-diinsaeuremethylester

Structural Information

Molecular Formula
C11H10O3
SMILES
COC(=O)/C=C/C#CC#C/C=C/CO
InChI
InChI=1S/C11H10O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h6-9,12H,10H2,1H3/b8-6+,9-7+
InChIKey
KDEVFRDBFLWTKI-CDJQDVQCSA-N
Compound name
methyl (2E,8E)-10-hydroxydeca-2,8-dien-4,6-diynoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

190.06299 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 153.7
[M+Na]+ 213.05221 163.0
[M-H]- 189.05571 153.7
[M+NH4]+ 208.09681 166.3
[M+K]+ 229.02615 159.1
[M+H-H2O]+ 173.06025 140.4
[M+HCOO]- 235.06119 162.3
[M+CH3COO]- 249.07684 205.1
[M+Na-2H]- 211.03766 154.0
[M]+ 190.06244 146.2
[M]- 190.06354 146.2
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.