CID 36587

33716-47-1

Structural Information

Molecular Formula
C14H20O3
SMILES
CC(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H20O3/c1-9(15)17-8-13(16)14-5-10-2-11(6-14)4-12(3-10)7-14/h10-12H,2-8H2,1H3
InChIKey
AESZJBFFCVPITC-UHFFFAOYSA-N
Compound name
[2-(1-adamantyl)-2-oxoethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.14125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 154.8
[M+Na]+ 259.13047 162.7
[M+NH4]+ 254.17507 166.4
[M+K]+ 275.10441 154.5
[M-H]- 235.13397 151.6
[M+Na-2H]- 257.11592 150.8
[M]+ 236.14070 154.9
[M]- 236.14180 154.9
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.