CID 5362755

9-dodecenoic acid, methyl ester

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

CC/C=C/CCCCCCCC(=O)OC

InChI

InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h4-5H,3,6-12H2,1-2H3/b5-4+

InChIKey

DUWQEMMRMJGHSA-SNAWJCMRSA-N

Compound name

methyl (E)-dodec-9-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 849
Patents: 212.17763 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.18491	154.2
[M+Na]+	235.16685	163.2
[M+NH4]+	230.21145	160.7
[M+K]+	251.14079	156.2
[M-H]-	211.17035	152.8
[M+Na-2H]-	233.15230	156.0
[M]+	212.17708	154.8
[M]-	212.17818	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe