CID 10871309

Laureth-3 carboxylic acid

Structural Information

Molecular Formula
C18H36O5
SMILES
CCCCCCCCCCCCOCCOCCOCC(=O)O
InChI
InChI=1S/C18H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-14-22-15-16-23-17-18(19)20/h2-17H2,1H3,(H,19,20)
InChIKey
VUCGAFPTLRWSEB-UHFFFAOYSA-N
Compound name
2-[2-(2-dodecoxyethoxy)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

669
Patents

332.2563 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.26358 186.8
[M+Na]+ 355.24552 188.3
[M-H]- 331.24902 183.3
[M+NH4]+ 350.29012 199.8
[M+K]+ 371.21946 186.4
[M+H-H2O]+ 315.25356 179.4
[M+HCOO]- 377.25450 205.4
[M+CH3COO]- 391.27015 210.2
[M+Na-2H]- 353.23097 185.9
[M]+ 332.25575 196.6
[M]- 332.25685 196.6
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