CID 15389269

9-methoxy-pentadecanoic acid

Structural Information

Molecular Formula
C16H32O3
SMILES
CCCCCCC(CCCCCCCC(=O)O)OC
InChI
InChI=1S/C16H32O3/c1-3-4-5-9-12-15(19-2)13-10-7-6-8-11-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
InChIKey
QWMAMXJYEIAKRF-UHFFFAOYSA-N
Compound name
9-methoxypentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

272.23514 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.24242 173.8
[M+Na]+ 295.22436 176.3
[M-H]- 271.22786 170.9
[M+NH4]+ 290.26896 189.4
[M+K]+ 311.19830 174.2
[M+H-H2O]+ 255.23240 167.5
[M+HCOO]- 317.23334 191.7
[M+CH3COO]- 331.24899 201.2
[M+Na-2H]- 293.20981 172.5
[M]+ 272.23459 179.4
[M]- 272.23569 179.4
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

patents stripe