CID 656825

2-methoxyhexadecanoic acid

Structural Information

Molecular Formula
C17H34O3
SMILES
CCCCCCCCCCCCCCC(C(=O)O)OC
InChI
InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKey
YNBIUHDYZWCBSF-UHFFFAOYSA-N
Compound name
2-methoxyhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

286.2508 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.25808 178.4
[M+Na]+ 309.24002 180.4
[M-H]- 285.24352 175.3
[M+NH4]+ 304.28462 193.4
[M+K]+ 325.21396 178.1
[M+H-H2O]+ 269.24806 171.9
[M+HCOO]- 331.24900 195.9
[M+CH3COO]- 345.26465 204.2
[M+Na-2H]- 307.22547 176.5
[M]+ 286.25025 184.3
[M]- 286.25135 184.3
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

No patent data available for this compound.