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]+ 191.070266 142.2
[M+Na]+ 213.052208 160.0
[M-H]- 189.055714 148.8
[M+NH4]+ 208.096813 154.3
[M+K]+ 229.026148 152.7
[M+H-H2O]+ 173.060250 132.3
[M+HCOO]- 235.061191 154.2
[M+CH3COO]- 249.076841 209.7
[M+Na-2H]- 211.037656 146.9
[M]+ 190.06244142 141.0
[M]- 190.06353858 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.