CID 101633876

Methyl 8s,9r-epoxy-2z-decen-4,6-diynoate

Structural Information

Molecular Formula
C11H10O3
SMILES
C[C@@H]1[C@@H](O1)C#CC#C/C=C\C(=O)OC
InChI
InChI=1S/C11H10O3/c1-9-10(14-9)7-5-3-4-6-8-11(12)13-2/h6,8-10H,1-2H3/b8-6-/t9-,10+/m1/s1
InChIKey
PCDNXYJKUQSRGB-VCNAMUQVSA-N
Compound name
methyl (Z)-7-[(2S,3R)-3-methyloxiran-2-yl]hept-2-en-4,6-diynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06299 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 142.2
[M+Na]+ 213.05221 160.0
[M-H]- 189.05571 148.8
[M+NH4]+ 208.09681 154.3
[M+K]+ 229.02615 152.7
[M+H-H2O]+ 173.06025 132.3
[M+HCOO]- 235.06119 154.2
[M+CH3COO]- 249.07684 209.7
[M+Na-2H]- 211.03766 146.9
[M]+ 190.06244 141.0
[M]- 190.06354 141.0
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.