CID 23541441

744910-23-4

Structural Information

Molecular Formula
C21H32O6
SMILES
CC12CCC(CC1O2)C(=O)OCC(C)(C)COC(=O)C3CCC4(C(C3)O4)C
InChI
InChI=1S/C21H32O6/c1-19(2,11-24-17(22)13-5-7-20(3)15(9-13)26-20)12-25-18(23)14-6-8-21(4)16(10-14)27-21/h13-16H,5-12H2,1-4H3
InChIKey
NZUCSNHVFFNRCL-UHFFFAOYSA-N
Compound name
[2,2-dimethyl-3-(6-methyl-7-oxabicyclo[4.1.0]heptane-3-carbonyl)oxypropyl] 6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

126
Patents

380.21988 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.22716 168.9
[M+Na]+ 403.20910 179.2
[M+NH4]+ 398.25370 178.2
[M+K]+ 419.18304 176.6
[M-H]- 379.21260 184.6
[M+Na-2H]- 401.19455 177.1
[M]+ 380.21933 177.2
[M]- 380.22043 177.2
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