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]+ 282.18526 166.2
[M+Na]+ 304.16720 168.9
[M-H]- 280.17070 171.7
[M+NH4]+ 299.21180 172.9
[M+K]+ 320.14114 167.6
[M+H-H2O]+ 264.17524 152.1
[M+HCOO]- 326.17618 181.9
[M+CH3COO]- 340.19183 201.4
[M+Na-2H]- 302.15265 170.3
[M]+ 281.17743 171.6
[M]- 281.17853 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.