CID 3085609

2-butanone, 3,3-bis(2-methoxyethoxy)-

Structural Information

Molecular Formula
C10H20O5
SMILES
CC(=O)C(C)(OCCOC)OCCOC
InChI
InChI=1S/C10H20O5/c1-9(11)10(2,14-7-5-12-3)15-8-6-13-4/h5-8H2,1-4H3
InChIKey
UDXZPHSCFREFKV-UHFFFAOYSA-N
Compound name
3,3-bis(2-methoxyethoxy)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.13107 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.138346 149.9
[M+Na]+ 243.120288 155.9
[M-H]- 219.123794 149.8
[M+NH4]+ 238.164893 168.4
[M+K]+ 259.094228 157.3
[M+H-H2O]+ 203.128330 144.8
[M+HCOO]- 265.129271 171.3
[M+CH3COO]- 279.144921 189.4
[M+Na-2H]- 241.105736 154.7
[M]+ 220.13052142 158.3
[M]- 220.13161858 158.3
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

No patent data available for this compound.