CID 216953

37921-69-0

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

0
Patents

376.29776 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.30504 201.8
[M+Na]+ 399.28698 202.8
[M-H]- 375.29048 201.4
[M+NH4]+ 394.33158 213.0
[M+K]+ 415.26092 198.3
[M+H-H2O]+ 359.29502 193.4
[M+HCOO]- 421.29596 218.6
[M+CH3COO]- 435.31161 221.5
[M+Na-2H]- 397.27243 198.2
[M]+ 376.29721 207.9
[M]- 376.29831 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