CID 85843852

11-methoxynonadecanoic acid

Structural Information

Molecular Formula
C20H40O3
SMILES
CCCCCCCCC(CCCCCCCCCC(=O)O)OC
InChI
InChI=1S/C20H40O3/c1-3-4-5-6-10-13-16-19(23-2)17-14-11-8-7-9-12-15-18-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
InChIKey
ROZAZLGTUNTXFB-UHFFFAOYSA-N
Compound name
11-methoxynonadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.29776 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.30504 191.9
[M+Na]+ 351.28698 192.6
[M-H]- 327.29048 188.1
[M+NH4]+ 346.33158 205.2
[M+K]+ 367.26092 189.5
[M+H-H2O]+ 311.29502 184.8
[M+HCOO]- 373.29596 208.4
[M+CH3COO]- 387.31161 213.1
[M+Na-2H]- 349.27243 188.4
[M]+ 328.29721 198.9
[M]- 328.29831 198.9
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.