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 156.8
[M+Na]+ 259.13047 158.0
[M-H]- 235.13397 151.7
[M+NH4]+ 254.17507 181.0
[M+K]+ 275.10441 155.8
[M+H-H2O]+ 219.13851 151.0
[M+HCOO]- 281.13945 162.2
[M+CH3COO]- 295.15510 164.8
[M+Na-2H]- 257.11592 165.1
[M]+ 236.14070 158.3
[M]- 236.14180 158.3
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.