CID 19218

Triethylene glycol monomethyl ether acetate

Structural Information

Molecular Formula
C9H18O5
SMILES
CC(=O)OCCOCCOCCOC
InChI
InChI=1S/C9H18O5/c1-9(10)14-8-7-13-6-5-12-4-3-11-2/h3-8H2,1-2H3
InChIKey
SDHQGBWMLCBNSM-UHFFFAOYSA-N
Compound name
2-[2-(2-methoxyethoxy)ethoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5155
Patents

206.11542 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12270 145.7
[M+Na]+ 229.10464 151.6
[M-H]- 205.10814 145.4
[M+NH4]+ 224.14924 164.7
[M+K]+ 245.07858 152.9
[M+H-H2O]+ 189.11268 140.0
[M+HCOO]- 251.11362 168.9
[M+CH3COO]- 265.12927 185.4
[M+Na-2H]- 227.09009 150.1
[M]+ 206.11487 154.0
[M]- 206.11597 154.0
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