CID 61094

Chissonox 201

Structural Information

Molecular Formula
C16H24O4
SMILES
CC1CC2C(O2)CC1COC(=O)C3CC4C(O4)CC3C
InChI
InChI=1S/C16H24O4/c1-8-3-12-14(19-12)5-10(8)7-18-16(17)11-6-15-13(20-15)4-9(11)2/h8-15H,3-7H2,1-2H3
InChIKey
GRWFFFOEIHGUBG-UHFFFAOYSA-N
Compound name
(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

5889
Patents

280.16745 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17473 172.9
[M+Na]+ 303.15667 179.3
[M-H]- 279.16017 181.5
[M+NH4]+ 298.20127 177.9
[M+K]+ 319.13061 179.2
[M+H-H2O]+ 263.16471 166.2
[M+HCOO]- 325.16565 182.8
[M+CH3COO]- 339.18130 212.1
[M+Na-2H]- 301.14212 173.6
[M]+ 280.16690 177.8
[M]- 280.16800 177.8
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