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
4
Annotation Hits

8
References

1641
Patents

184.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 145.3
[M+Na]+ 207.135548 151.0
[M-H]- 183.139054 144.9
[M+NH4]+ 202.180153 165.4
[M+K]+ 223.109488 149.7
[M+H-H2O]+ 167.143590 140.1
[M+HCOO]- 229.144531 167.5
[M+CH3COO]- 243.160181 184.6
[M+Na-2H]- 205.120996 148.6
[M]+ 184.14578142 149.4
[M]- 184.14687858 149.4
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