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]+ 191.070266 153.7
[M+Na]+ 213.052208 163.0
[M-H]- 189.055714 153.7
[M+NH4]+ 208.096813 166.3
[M+K]+ 229.026148 159.1
[M+H-H2O]+ 173.060250 140.4
[M+HCOO]- 235.061191 162.3
[M+CH3COO]- 249.076841 205.1
[M+Na-2H]- 211.037656 154.0
[M]+ 190.06244142 146.2
[M]- 190.06353858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.