CID 506552

4-(1-adamantyl)-2-methyl-2h-furan-5-one

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1C=C(C(=O)O1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C15H20O2/c1-9-2-13(14(16)17-9)15-6-10-3-11(7-15)5-12(4-10)8-15/h2,9-12H,3-8H2,1H3
InChIKey
HYNNWTQLRXUPHK-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 149.7
[M+Na]+ 255.13555 153.3
[M-H]- 231.13905 149.2
[M+NH4]+ 250.18015 175.1
[M+K]+ 271.10949 150.2
[M+H-H2O]+ 215.14359 143.5
[M+HCOO]- 277.14453 156.6
[M+CH3COO]- 291.16018 159.4
[M+Na-2H]- 253.12100 157.4
[M]+ 232.14578 150.3
[M]- 232.14688 150.3
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

No patent data available for this compound.