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]+ 270.185256 166.1
[M+Na]+ 292.167198 169.5
[M-H]- 268.170704 170.1
[M+NH4]+ 287.211803 180.7
[M+K]+ 308.141138 165.4
[M+H-H2O]+ 252.175240 158.8
[M+HCOO]- 314.176181 184.7
[M+CH3COO]- 328.191831 199.9
[M+Na-2H]- 290.152646 169.2
[M]+ 269.17743142 162.7
[M]- 269.17852858 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.