CID 95835

Ethyl 2,2-diethoxypropionate

Structural Information

Molecular Formula
C9H18O4
SMILES
CCOC(=O)C(C)(OCC)OCC
InChI
InChI=1S/C9H18O4/c1-5-11-8(10)9(4,12-6-2)13-7-3/h5-7H2,1-4H3
InChIKey
BVAMIFTXHAJQHP-UHFFFAOYSA-N
Compound name
ethyl 2,2-diethoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

190.12051 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.12779 142.9
[M+Na]+ 213.10973 149.4
[M-H]- 189.11323 143.1
[M+NH4]+ 208.15433 162.8
[M+K]+ 229.08367 150.6
[M+H-H2O]+ 173.11777 138.2
[M+HCOO]- 235.11871 164.4
[M+CH3COO]- 249.13436 183.8
[M+Na-2H]- 211.09518 148.1
[M]+ 190.11996 149.3
[M]- 190.12106 149.3
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