CID 122612125

Schembl18140293

Structural Information

Molecular Formula
C17H34O6
SMILES
CCCCCCCCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C17H34O6/c1-2-3-4-5-6-7-8-9-20-10-11-21-12-13-22-14-15-23-16-17(18)19/h2-16H2,1H3,(H,18,19)
InChIKey
GGRFXTULXFBOHB-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

334.23553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.242806 184.3
[M+Na]+ 357.224748 186.1
[M-H]- 333.228254 180.9
[M+NH4]+ 352.269353 197.1
[M+K]+ 373.198688 185.1
[M+H-H2O]+ 317.232790 176.9
[M+HCOO]- 379.233731 203.5
[M+CH3COO]- 393.249381 209.2
[M+Na-2H]- 355.210196 184.1
[M]+ 334.23498142 195.2
[M]- 334.23607858 195.2
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