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

6
Patents

186.16199 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.16927 146.2
[M+Na]+ 209.15121 151.9
[M-H]- 185.15471 146.3
[M+NH4]+ 204.19581 166.5
[M+K]+ 225.12515 152.1
[M+H-H2O]+ 169.15925 141.8
[M+HCOO]- 231.16019 165.7
[M+CH3COO]- 245.17584 186.0
[M+Na-2H]- 207.13666 149.0
[M]+ 186.16144 149.8
[M]- 186.16254 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