CID 7334

Ethyl chrysanthemate

Structural Information

Molecular Formula
C12H20O2
SMILES
CCOC(=O)C1C(C1(C)C)C=C(C)C
InChI
InChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3
InChIKey
VIMXTGUGWLAOFZ-UHFFFAOYSA-N
Compound name
ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

550
Patents

196.14633 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 144.3
[M+Na]+ 219.13555 153.8
[M-H]- 195.13905 149.4
[M+NH4]+ 214.18015 161.6
[M+K]+ 235.10949 152.1
[M+H-H2O]+ 179.14359 140.2
[M+HCOO]- 241.14453 165.1
[M+CH3COO]- 255.16018 191.0
[M+Na-2H]- 217.12100 146.6
[M]+ 196.14578 150.3
[M]- 196.14688 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe