CID 61727

Chrysanthemic anhydride

Structural Information

Molecular Formula
C20H30O3
SMILES
CC(=CC1C(C1(C)C)C(=O)OC(=O)C2C(C2(C)C)C=C(C)C)C
InChI
InChI=1S/C20H30O3/c1-11(2)9-13-15(19(13,5)6)17(21)23-18(22)16-14(10-12(3)4)20(16,7)8/h9-10,13-16H,1-8H3
InChIKey
CAEPEMIWWYIQSK-UHFFFAOYSA-N
Compound name
[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

318.21948 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 173.4
[M+Na]+ 341.20870 180.2
[M-H]- 317.21220 180.5
[M+NH4]+ 336.25330 181.5
[M+K]+ 357.18264 179.0
[M+H-H2O]+ 301.21674 171.4
[M+HCOO]- 363.21768 186.9
[M+CH3COO]- 377.23333 220.4
[M+Na-2H]- 339.19415 169.5
[M]+ 318.21893 182.0
[M]- 318.22003 182.0
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