CID 37509

3-ethoxy-3-methyl-2-butanone

Structural Information

Molecular Formula
C7H14O2
SMILES
CCOC(C)(C)C(=O)C
InChI
InChI=1S/C7H14O2/c1-5-9-7(3,4)6(2)8/h5H2,1-4H3
InChIKey
CCFVIXLUALAAQN-UHFFFAOYSA-N
Compound name
3-ethoxy-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

130.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 127.3
[M+Na]+ 153.088598 134.7
[M-H]- 129.092104 127.9
[M+NH4]+ 148.133203 149.7
[M+K]+ 169.062538 135.5
[M+H-H2O]+ 113.096640 123.5
[M+HCOO]- 175.097581 149.0
[M+CH3COO]- 189.113231 174.4
[M+Na-2H]- 151.074046 133.5
[M]+ 130.09883142 130.1
[M]- 130.09992858 130.1
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