CID 203338

14185-12-7

Structural Information

Molecular Formula
C18H23NO
SMILES
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(C)CN)O
InChI
InChI=1S/C18H23NO/c1-13-4-8-16(9-5-13)18(20,15(3)12-19)17-10-6-14(2)7-11-17/h4-11,15,20H,12,19H2,1-3H3
InChIKey
IDJRHRZFEWCOGC-UHFFFAOYSA-N
Compound name
3-amino-2-methyl-1,1-bis(4-methylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.17798 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.185256 166.0
[M+Na]+ 292.167198 171.6
[M-H]- 268.170704 170.8
[M+NH4]+ 287.211803 181.3
[M+K]+ 308.141138 167.1
[M+H-H2O]+ 252.175240 158.9
[M+HCOO]- 314.176181 185.5
[M+CH3COO]- 328.191831 201.4
[M+Na-2H]- 290.152646 168.8
[M]+ 269.17743142 164.0
[M]- 269.17852858 164.0
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

patents stripe