CID 121596025

Peg-3 oleyl ether carboxylic acid

Structural Information

Molecular Formula
C22H42O4
SMILES
CCCCCCCC/C=C/CCCCCCCCOCCOCC(=O)O
InChI
InChI=1S/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9+
InChIKey
KHIBLRPAPGKKQC-MDZDMXLPSA-N
Compound name
2-[2-[(E)-octadec-9-enoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.30832 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.31560 199.1
[M+Na]+ 393.29754 204.7
[M+NH4]+ 388.34214 207.1
[M+K]+ 409.27148 197.1
[M-H]- 369.30104 195.7
[M+Na-2H]- 391.28299 197.1
[M]+ 370.30777 198.4
[M]- 370.30887 198.4
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.