CID 216953

2-(3-pentadecylphenoxy)propanoic acid

Structural Information

Molecular Formula
C24H40O3
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(C)C(=O)O
InChI
InChI=1S/C24H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-18-16-19-23(20-22)27-21(2)24(25)26/h16,18-21H,3-15,17H2,1-2H3,(H,25,26)
InChIKey
AYESSDBLPJZBRV-UHFFFAOYSA-N
Compound name
2-(3-pentadecylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

376.29776 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.305036 201.8
[M+Na]+ 399.286978 202.8
[M-H]- 375.290484 201.4
[M+NH4]+ 394.331583 213.0
[M+K]+ 415.260918 198.3
[M+H-H2O]+ 359.295020 193.4
[M+HCOO]- 421.295961 218.6
[M+CH3COO]- 435.311611 221.5
[M+Na-2H]- 397.272426 198.2
[M]+ 376.29721142 207.9
[M]- 376.29830858 207.9
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

patents stripe