CID 1778877

Methyl 9-decenoate

Structural Information

Molecular Formula
C11H20O2
SMILES
COC(=O)CCCCCCCC=C
InChI
InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3H,1,4-10H2,2H3
InChIKey
SBIGSHCJXYGFMX-UHFFFAOYSA-N
Compound name
methyl dec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1698
Patents

184.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 145.2
[M+Na]+ 207.13555 154.6
[M+NH4]+ 202.18015 152.0
[M+K]+ 223.10949 148.1
[M-H]- 183.13905 144.0
[M+Na-2H]- 205.12100 147.6
[M]+ 184.14578 145.9
[M]- 184.14688 145.9
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

patents stripe