CID 137323819

7-methoxy-hexadec-(4e,8e)-dienoic acid

Structural Information

Molecular Formula
C17H30O3
SMILES
CCCCCCC/C=C/C(C/C=C/CCC(=O)O)OC
InChI
InChI=1S/C17H30O3/c1-3-4-5-6-7-8-10-13-16(20-2)14-11-9-12-15-17(18)19/h9-11,13,16H,3-8,12,14-15H2,1-2H3,(H,18,19)/b11-9+,13-10+
InChIKey
SDZZDAKRASOOBC-HOJJKJLFSA-N
Compound name
(4E,8E)-7-methoxyhexadeca-4,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.21948 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.22676 175.4
[M+Na]+ 305.20870 178.1
[M-H]- 281.21220 172.4
[M+NH4]+ 300.25330 190.6
[M+K]+ 321.18264 174.7
[M+H-H2O]+ 265.21674 169.1
[M+HCOO]- 327.21768 193.4
[M+CH3COO]- 341.23333 201.2
[M+Na-2H]- 303.19415 173.6
[M]+ 282.21893 179.7
[M]- 282.22003 179.7
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

No patent data available for this compound.