CID 3343569

3,6,9,12,15-pentaoxaheptacosanoicacid

Structural Information

Molecular Formula
C22H44O7
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C22H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-14-26-15-16-27-17-18-28-19-20-29-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKey
ACTCCLFXGJCHSZ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

420.30872 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.31600 207.8
[M+Na]+ 443.29794 218.7
[M-H]- 419.30144 202.9
[M+NH4]+ 438.34254 214.8
[M+K]+ 459.27188 205.8
[M+H-H2O]+ 403.30598 199.2
[M+HCOO]- 465.30692 225.5
[M+CH3COO]- 479.32257 225.6
[M+Na-2H]- 441.28339 205.4
[M]+ 420.30817 215.1
[M]- 420.30927 215.1
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