CID 51154

Tegdh

Structural Information

Molecular Formula
C22H42O7
SMILES
CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC
InChI
InChI=1S/C22H42O7/c1-3-5-7-9-11-21(23)28-19-17-26-15-13-25-14-16-27-18-20-29-22(24)12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey
SSKNCQWPZQCABD-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-heptanoyloxyethoxy)ethoxy]ethoxy]ethyl heptanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

8266
Patents

418.29306 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.30034 213.1
[M+Na]+ 441.28228 219.5
[M-H]- 417.28578 204.4
[M+NH4]+ 436.32688 217.7
[M+K]+ 457.25622 214.6
[M+H-H2O]+ 401.29032 199.5
[M+HCOO]- 463.29126 224.6
[M+CH3COO]- 477.30691 226.9
[M+Na-2H]- 439.26773 204.7
[M]+ 418.29251 214.9
[M]- 418.29361 214.9
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