CID 11063054

Methyl dec-9-ynoate

Structural Information

Molecular Formula
C11H18O2
SMILES
COC(=O)CCCCCCCC#C
InChI
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h1H,4-10H2,2H3
InChIKey
SXKMLYGXKLNTRS-UHFFFAOYSA-N
Compound name
methyl dec-9-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

182.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 141.0
[M+Na]+ 205.11990 150.5
[M+NH4]+ 200.16450 144.5
[M+K]+ 221.09384 141.6
[M-H]- 181.12340 132.2
[M+Na-2H]- 203.10535 141.2
[M]+ 182.13013 138.8
[M]- 182.13123 138.8
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

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