CID 89835

22790-13-2

Structural Information

Molecular Formula
C14H26O8
SMILES
CC(=O)OCCOCCOCCOCCOCCOC(=O)C
InChI
InChI=1S/C14H26O8/c1-13(15)21-11-9-19-7-5-17-3-4-18-6-8-20-10-12-22-14(2)16/h3-12H2,1-2H3
InChIKey
MBGINZGOPMLHQN-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

322.16278 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.170056 173.6
[M+Na]+ 345.151998 177.2
[M-H]- 321.155504 172.4
[M+NH4]+ 340.196603 191.2
[M+K]+ 361.125938 178.8
[M+H-H2O]+ 305.160040 166.4
[M+HCOO]- 367.160981 200.3
[M+CH3COO]- 381.176631 205.7
[M+Na-2H]- 343.137446 174.7
[M]+ 322.16223142 186.8
[M]- 322.16332858 186.8
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