CID 11616543

131180-63-7

Structural Information

Molecular Formula
C21H27NO
SMILES
CC1=CC(=CC(=C1)C([C@@H]2CCCN2)(C3=CC(=CC(=C3)C)C)O)C
InChI
InChI=1S/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/m0/s1
InChIKey
MXIOBZPVLNQGIU-FQEVSTJZSA-N
Compound name
bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

309.20926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 178.5
[M+Na]+ 332.19848 191.5
[M+NH4]+ 327.24308 186.6
[M+K]+ 348.17242 185.9
[M-H]- 308.20198 183.3
[M+Na-2H]- 330.18393 185.9
[M]+ 309.20871 181.8
[M]- 309.20981 181.8
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