CID 54004

77967-28-3

Structural Information

Molecular Formula
C19H23NO
SMILES
CC(CN1CCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H23NO/c1-16(15-20-13-8-14-20)19(21,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,16,21H,8,13-15H2,1H3
InChIKey
MPSSIUBTDDPIIQ-UHFFFAOYSA-N
Compound name
3-(azetidin-1-yl)-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 166.2
[M+Na]+ 304.167198 168.9
[M-H]- 280.170704 171.7
[M+NH4]+ 299.211803 172.9
[M+K]+ 320.141138 167.6
[M+H-H2O]+ 264.175240 152.1
[M+HCOO]- 326.176181 181.9
[M+CH3COO]- 340.191831 201.4
[M+Na-2H]- 302.152646 170.3
[M]+ 281.17743142 171.6
[M]- 281.17852858 171.6
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.