CID 79554604

1520602-41-8

Structural Information

Molecular Formula
C11H18O3
SMILES
CCOC(=O)C1(CC1)C(=O)C(C)(C)C
InChI
InChI=1S/C11H18O3/c1-5-14-9(13)11(6-7-11)8(12)10(2,3)4/h5-7H2,1-4H3
InChIKey
HPORWKOQHOKMSC-UHFFFAOYSA-N
Compound name
ethyl 1-(2,2-dimethylpropanoyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.132876 145.5
[M+Na]+ 221.114818 153.9
[M-H]- 197.118324 150.3
[M+NH4]+ 216.159423 162.2
[M+K]+ 237.088758 153.4
[M+H-H2O]+ 181.122860 141.6
[M+HCOO]- 243.123801 165.4
[M+CH3COO]- 257.139451 188.1
[M+Na-2H]- 219.100266 150.3
[M]+ 198.12505142 151.4
[M]- 198.12614858 151.4
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.