CID 14344497

Dihydromintlactone

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1CCC2C(C(=O)OC2C1)C
InChI
InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6-9H,3-5H2,1-2H3
InChIKey
FGDINYRLQOKVQS-UHFFFAOYSA-N
Compound name
3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

738
Patents

168.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 135.5
[M+Na]+ 191.10426 142.9
[M-H]- 167.10776 140.4
[M+NH4]+ 186.14886 158.1
[M+K]+ 207.07820 142.2
[M+H-H2O]+ 151.11230 131.2
[M+HCOO]- 213.11324 154.3
[M+CH3COO]- 227.12889 179.8
[M+Na-2H]- 189.08971 139.0
[M]+ 168.11449 133.5
[M]- 168.11559 133.5
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