CID 14710420

2-ethylbutyl 2,2-dimethylpropanoate

Structural Information

Molecular Formula
C11H22O2
SMILES
CCC(CC)COC(=O)C(C)(C)C
InChI
InChI=1S/C11H22O2/c1-6-9(7-2)8-13-10(12)11(3,4)5/h9H,6-8H2,1-5H3
InChIKey
ISMQKBKUZVGAES-UHFFFAOYSA-N
Compound name
2-ethylbutyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

186.16199 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.169266 146.2
[M+Na]+ 209.151208 151.9
[M-H]- 185.154714 146.3
[M+NH4]+ 204.195813 166.5
[M+K]+ 225.125148 152.1
[M+H-H2O]+ 169.159250 141.8
[M+HCOO]- 231.160191 165.7
[M+CH3COO]- 245.175841 186.0
[M+Na-2H]- 207.136656 149.0
[M]+ 186.16144142 149.8
[M]- 186.16253858 149.8
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