CID 61094

141-37-7

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

5836
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.