CID 232703

Limonene dioxide

Structural Information

Molecular Formula
C10H16O2
SMILES
CC12CCC(CC1O2)C3(CO3)C
InChI
InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3
InChIKey
RBHIUNHSNSQJNG-UHFFFAOYSA-N
Compound name
1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

12864
Patents

168.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 148.9
[M+Na]+ 191.10426 156.8
[M-H]- 167.10776 158.1
[M+NH4]+ 186.14886 159.9
[M+K]+ 207.07820 161.2
[M+H-H2O]+ 151.11230 144.3
[M+HCOO]- 213.11324 162.9
[M+CH3COO]- 227.12889 159.9
[M+Na-2H]- 189.08971 155.9
[M]+ 168.11449 154.1
[M]- 168.11559 154.1
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