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]+ 221.13835 149.9
[M+Na]+ 243.12029 155.9
[M-H]- 219.12379 149.8
[M+NH4]+ 238.16489 168.4
[M+K]+ 259.09423 157.3
[M+H-H2O]+ 203.12833 144.8
[M+HCOO]- 265.12927 171.3
[M+CH3COO]- 279.14492 189.4
[M+Na-2H]- 241.10574 154.7
[M]+ 220.13052 158.3
[M]- 220.13162 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.