CID 3060406

78109-94-1

Structural Information

Molecular Formula
C18H23NO
SMILES
CC(C)C(CN)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C18H23NO/c1-14(2)17(13-19)18(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,20H,13,19H2,1-2H3
InChIKey
ZBHMPKHHTBHQHM-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 166.1
[M+Na]+ 292.16720 169.5
[M-H]- 268.17070 170.1
[M+NH4]+ 287.21180 180.7
[M+K]+ 308.14114 165.4
[M+H-H2O]+ 252.17524 158.8
[M+HCOO]- 314.17618 184.7
[M+CH3COO]- 328.19183 199.9
[M+Na-2H]- 290.15265 169.2
[M]+ 269.17743 162.7
[M]- 269.17853 162.7
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.