CID 19838

Ethyl trimethylacetate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

9411
Patents

130.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 127.6
[M+Na]+ 153.08860 135.2
[M-H]- 129.09210 128.4
[M+NH4]+ 148.13320 150.2
[M+K]+ 169.06254 136.1
[M+H-H2O]+ 113.09664 124.0
[M+HCOO]- 175.09758 149.4
[M+CH3COO]- 189.11323 173.0
[M+Na-2H]- 151.07405 133.8
[M]+ 130.09883 130.3
[M]- 130.09993 130.3
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.