CID 79554604

Ethyl1-(2,2-dimethylpropanoyl)cyclopropane-1-carboxylate

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]+ 199.13288 145.5
[M+Na]+ 221.11482 153.9
[M-H]- 197.11832 150.3
[M+NH4]+ 216.15942 162.2
[M+K]+ 237.08876 153.4
[M+H-H2O]+ 181.12286 141.6
[M+HCOO]- 243.12380 165.4
[M+CH3COO]- 257.13945 188.1
[M+Na-2H]- 219.10027 150.3
[M]+ 198.12505 151.4
[M]- 198.12615 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.