CID 56935971

Methyl 3-methyl-2z-dodecenoate

Structural Information

Molecular Formula
C14H26O2
SMILES
CCCCCCCCC/C(=C\C(=O)OC)/C
InChI
InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-13(2)12-14(15)16-3/h12H,4-11H2,1-3H3/b13-12-
InChIKey
JZLCLHMKXWJMOR-SEYXRHQNSA-N
Compound name
methyl (Z)-3-methyldodec-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.19328 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 159.8
[M+Na]+ 249.18250 164.1
[M-H]- 225.18600 159.0
[M+NH4]+ 244.22710 178.2
[M+K]+ 265.15644 162.4
[M+H-H2O]+ 209.19054 154.1
[M+HCOO]- 271.19148 180.0
[M+CH3COO]- 285.20713 193.8
[M+Na-2H]- 247.16795 160.2
[M]+ 226.19273 164.2
[M]- 226.19383 164.2
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.