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]+ 249.075746 152.4
[M+Na]+ 271.057688 169.6
[M-H]- 247.061194 158.8
[M+NH4]+ 266.102293 162.9
[M+K]+ 287.031628 162.4
[M+H-H2O]+ 231.065730 142.3
[M+HCOO]- 293.066671 163.8
[M+CH3COO]- 307.082321 215.4
[M+Na-2H]- 269.043136 155.6
[M]+ 248.06792142 152.5
[M]- 248.06901858 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.