CID 2725001

(-)-8-phenylmenthol

Structural Information

Molecular Formula
C16H24O
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)C2=CC=CC=C2
InChI
InChI=1S/C16H24O/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14-,15-/m1/s1
InChIKey
WTQIZFCJMGWUGZ-BPLDGKMQSA-N
Compound name
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

380
Patents

232.18271 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 156.1
[M+Na]+ 255.171928 160.7
[M-H]- 231.175434 160.7
[M+NH4]+ 250.216533 173.5
[M+K]+ 271.145868 157.2
[M+H-H2O]+ 215.179970 149.8
[M+HCOO]- 277.180911 172.7
[M+CH3COO]- 291.196561 191.2
[M+Na-2H]- 253.157376 159.1
[M]+ 232.18216142 151.5
[M]- 232.18325858 151.5
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

patents stripe