CID 162388

39670-09-2

Structural Information

Molecular Formula
C12H22O5
SMILES
CCOCCOCCOCCOC(=O)C(=C)C
InChI
InChI=1S/C12H22O5/c1-4-14-5-6-15-7-8-16-9-10-17-12(13)11(2)3/h2,4-10H2,1,3H3
InChIKey
RBFPEAGEJJSYCX-UHFFFAOYSA-N
Compound name
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2848
Patents

246.14673 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15401 158.4
[M+Na]+ 269.13595 163.2
[M-H]- 245.13945 157.7
[M+NH4]+ 264.18055 175.6
[M+K]+ 285.10989 163.6
[M+H-H2O]+ 229.14399 152.3
[M+HCOO]- 291.14493 179.9
[M+CH3COO]- 305.16058 194.3
[M+Na-2H]- 267.12140 160.0
[M]+ 246.14618 166.5
[M]- 246.14728 166.5
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