CID 6473877

(e)-12-methoxydodec-2-enoic acid

Structural Information

Molecular Formula
C13H24O3
SMILES
COCCCCCCCCC/C=C/C(=O)O
InChI
InChI=1S/C13H24O3/c1-16-12-10-8-6-4-2-3-5-7-9-11-13(14)15/h9,11H,2-8,10,12H2,1H3,(H,14,15)/b11-9+
InChIKey
JEJQBJWFMRKQJY-PKNBQFBNSA-N
Compound name
(E)-12-methoxydodec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

228.17255 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.17983 158.1
[M+Na]+ 251.16177 162.4
[M-H]- 227.16527 155.8
[M+NH4]+ 246.20637 175.6
[M+K]+ 267.13571 160.1
[M+H-H2O]+ 211.16981 152.4
[M+HCOO]- 273.17075 178.3
[M+CH3COO]- 287.18640 189.9
[M+Na-2H]- 249.14722 159.7
[M]+ 228.17200 162.4
[M]- 228.17310 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe