CID 42681

Brn 1581034

Structural Information

Molecular Formula
C21H31NO
SMILES
CC1(C2CCC1(C(C2)O)CN3CCC(CC3)C4=CC=CC=C4)C
InChI
InChI=1S/C21H31NO/c1-20(2)18-8-11-21(20,19(23)14-18)15-22-12-9-17(10-13-22)16-6-4-3-5-7-16/h3-7,17-19,23H,8-15H2,1-2H3
InChIKey
HCSJWQMHNYVWTA-UHFFFAOYSA-N
Compound name
7,7-dimethyl-1-[(4-phenylpiperidin-1-yl)methyl]bicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.24057 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.24785 180.1
[M+Na]+ 336.22979 185.0
[M-H]- 312.23329 185.8
[M+NH4]+ 331.27439 201.5
[M+K]+ 352.20373 179.1
[M+H-H2O]+ 296.23783 172.6
[M+HCOO]- 358.23877 193.5
[M+CH3COO]- 372.25442 189.4
[M+Na-2H]- 334.21524 178.4
[M]+ 313.24002 174.6
[M]- 313.24112 174.6
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.