CID 22371595

11-methoxyoctadecanoic acid

Structural Information

Molecular Formula
C19H38O3
SMILES
CCCCCCCC(CCCCCCCCCC(=O)O)OC
InChI
InChI=1S/C19H38O3/c1-3-4-5-9-12-15-18(22-2)16-13-10-7-6-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
InChIKey
WWDCPOBCECWOAQ-UHFFFAOYSA-N
Compound name
11-methoxyoctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

314.2821 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.28938 187.4
[M+Na]+ 337.27132 188.5
[M-H]- 313.27482 183.9
[M+NH4]+ 332.31592 201.3
[M+K]+ 353.24526 185.7
[M+H-H2O]+ 297.27936 180.5
[M+HCOO]- 359.28030 204.3
[M+CH3COO]- 373.29595 210.1
[M+Na-2H]- 335.25677 184.5
[M]+ 314.28155 194.0
[M]- 314.28265 194.0
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