CID 494447

Nsc624383

Structural Information

Molecular Formula
C20H26O2
SMILES
CC(C(C1=CC=CC=C1)O)C(=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C20H26O2/c1-13(18(21)17-5-3-2-4-6-17)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,13-16,18,21H,7-12H2,1H3
InChIKey
UTMGSMUZUXLPQE-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3-hydroxy-2-methyl-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.19327 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.20055 173.5
[M+Na]+ 321.18249 172.1
[M-H]- 297.18599 169.4
[M+NH4]+ 316.22709 193.8
[M+K]+ 337.15643 168.1
[M+H-H2O]+ 281.19053 165.6
[M+HCOO]- 343.19147 175.3
[M+CH3COO]- 357.20712 179.0
[M+Na-2H]- 319.16794 179.0
[M]+ 298.19272 171.2
[M]- 298.19382 171.2
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.