CID 611552

2-methoxytetradecanoic acid

Structural Information

Molecular Formula
C15H30O3
SMILES
CCCCCCCCCCCCC(C(=O)O)OC
InChI
InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(18-2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChIKey
SVEUDKQPMQGCGQ-UHFFFAOYSA-N
Compound name
2-methoxytetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

258.21948 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.22676 169.3
[M+Na]+ 281.20870 172.1
[M-H]- 257.21220 166.6
[M+NH4]+ 276.25330 185.5
[M+K]+ 297.18264 170.4
[M+H-H2O]+ 241.21674 163.2
[M+HCOO]- 303.21768 187.5
[M+CH3COO]- 317.23333 198.2
[M+Na-2H]- 279.19415 168.5
[M]+ 258.21893 174.4
[M]- 258.22003 174.4
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