CID 137323801

Methyl 10-acetoxy-8,9-epoxy-2z-decen-4,6-diynoate

Structural Information

Molecular Formula
C13H12O5
SMILES
CC(=O)OCC1C(O1)C#CC#C/C=C\C(=O)OC
InChI
InChI=1S/C13H12O5/c1-10(14)17-9-12-11(18-12)7-5-3-4-6-8-13(15)16-2/h6,8,11-12H,9H2,1-2H3/b8-6-
InChIKey
BNQDPVXVNJANSG-VURMDHGXSA-N
Compound name
methyl (Z)-7-[3-(acetyloxymethyl)oxiran-2-yl]hept-2-en-4,6-diynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.06847 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07575 152.4
[M+Na]+ 271.05769 169.6
[M-H]- 247.06119 158.8
[M+NH4]+ 266.10229 162.9
[M+K]+ 287.03163 162.4
[M+H-H2O]+ 231.06573 142.3
[M+HCOO]- 293.06667 163.8
[M+CH3COO]- 307.08232 215.4
[M+Na-2H]- 269.04314 155.6
[M]+ 248.06792 152.5
[M]- 248.06902 152.5
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.