CID 4068699

(+)-2-cyclohexyl-1,1-diphenyl-2-methyl-1-butanol

Structural Information

Molecular Formula
C23H30O
SMILES
CCC(C)(C1CCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C23H30O/c1-3-22(2,19-13-7-4-8-14-19)23(24,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h5-6,9-12,15-19,24H,3-4,7-8,13-14H2,1-2H3
InChIKey
IDSWJLYOJWDYGQ-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.22968 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.23696 180.3
[M+Na]+ 345.21890 181.6
[M-H]- 321.22240 186.5
[M+NH4]+ 340.26350 192.7
[M+K]+ 361.19284 176.2
[M+H-H2O]+ 305.22694 171.8
[M+HCOO]- 367.22788 194.1
[M+CH3COO]- 381.24353 206.3
[M+Na-2H]- 343.20435 184.2
[M]+ 322.22913 174.1
[M]- 322.23023 174.1
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.