CID 137323800

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

Structural Information

Molecular Formula
C11H10O4
SMILES
COC(=O)/C=C\C#CC#CC1C(O1)CO
InChI
InChI=1S/C11H10O4/c1-14-11(13)7-5-3-2-4-6-9-10(8-12)15-9/h5,7,9-10,12H,8H2,1H3/b7-5-
InChIKey
DHUOSWGSFRCYSJ-ALCCZGGFSA-N
Compound name
methyl (Z)-7-[3-(hydroxymethyl)oxiran-2-yl]hept-2-en-4,6-diynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0579 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 144.8
[M+Na]+ 229.04712 162.3
[M-H]- 205.05062 150.5
[M+NH4]+ 224.09172 156.0
[M+K]+ 245.02106 154.8
[M+H-H2O]+ 189.05516 135.1
[M+HCOO]- 251.05610 156.1
[M+CH3COO]- 265.07175 209.3
[M+Na-2H]- 227.03257 149.1
[M]+ 206.05735 143.4
[M]- 206.05845 143.4
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.