CID 9993505

26171-78-8

Structural Information

Molecular Formula
C18H26O2
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC2=CC=CC=C2)C(C)C
InChI
InChI=1S/C18H26O2/c1-13(2)16-10-9-14(3)11-17(16)20-18(19)12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3/t14-,16+,17-/m1/s1
InChIKey
GIFKSWTZIAVRIG-HYVNUMGLSA-N
Compound name
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

19
Patents

274.19327 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20055 167.6
[M+Na]+ 297.18249 170.9
[M-H]- 273.18599 173.0
[M+NH4]+ 292.22709 183.5
[M+K]+ 313.15643 168.3
[M+H-H2O]+ 257.19053 160.0
[M+HCOO]- 319.19147 184.9
[M+CH3COO]- 333.20712 201.6
[M+Na-2H]- 295.16794 166.7
[M]+ 274.19272 165.4
[M]- 274.19382 165.4
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

patents stripe