CID 31288

2-(2-butoxyethoxy)ethyl acetate

Structural Information

Molecular Formula
C10H20O4
SMILES
CCCCOCCOCCOC(=O)C
InChI
InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3
InChIKey
VXQBJTKSVGFQOL-UHFFFAOYSA-N
Compound name
2-(2-butoxyethoxy)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4
References

67579
Patents

204.13615 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.143426 147.9
[M+Na]+ 227.125368 153.6
[M-H]- 203.128874 147.5
[M+NH4]+ 222.169973 167.1
[M+K]+ 243.099308 154.1
[M+H-H2O]+ 187.133410 142.3
[M+HCOO]- 249.134351 170.6
[M+CH3COO]- 263.150001 186.4
[M+Na-2H]- 225.110816 151.7
[M]+ 204.13560142 155.2
[M]- 204.13669858 155.2
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