CID 21776027

2-methoxypentadecanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.23514 Da
Monoisotopic Mass

6.4
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

No patent data available for this compound.