CID 6475135

Methyl (z)-8-hydroxydec-2-en-4,6-diynoate

Structural Information

Molecular Formula
C11H12O3
SMILES
CCC(C#CC#C/C=C\C(=O)OC)O
InChI
InChI=1S/C11H12O3/c1-3-10(12)8-6-4-5-7-9-11(13)14-2/h7,9-10,12H,3H2,1-2H3/b9-7-
InChIKey
KQTZHPPDJBRICX-CLFYSBASSA-N
Compound name
methyl (Z)-8-hydroxydec-2-en-4,6-diynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

192.07864 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 154.0
[M+Na]+ 215.06786 162.9
[M-H]- 191.07136 154.0
[M+NH4]+ 210.11246 166.5
[M+K]+ 231.04180 159.7
[M+H-H2O]+ 175.07590 140.7
[M+HCOO]- 237.07684 161.9
[M+CH3COO]- 251.09249 206.7
[M+Na-2H]- 213.05331 153.5
[M]+ 192.07809 146.6
[M]- 192.07919 146.6
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.