CID 10333308

144054-70-6

Structural Information

Molecular Formula
C18H23NO
SMILES
CC(C)(C)[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N
InChI
InChI=1S/C18H23NO/c1-17(2,3)16(19)18(20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,20H,19H2,1-3H3/t16-/m0/s1
InChIKey
HZIHDWNOPKIOCK-INIZCTEOSA-N
Compound name
(2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

269.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 165.4
[M+Na]+ 292.16720 169.6
[M-H]- 268.17070 169.7
[M+NH4]+ 287.21180 180.2
[M+K]+ 308.14114 165.6
[M+H-H2O]+ 252.17524 158.6
[M+HCOO]- 314.17618 183.4
[M+CH3COO]- 328.19183 198.8
[M+Na-2H]- 290.15265 170.6
[M]+ 269.17743 162.1
[M]- 269.17853 162.1
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