CID 47488

N-methyl-3,3-diphenylcyclobutylamine hydrochloride

Structural Information

Molecular Formula
C17H19N
SMILES
CNC1CC(C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H19N/c1-18-16-12-17(13-16,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3
InChIKey
KWUNKNJXJFKGEX-UHFFFAOYSA-N
Compound name
N-methyl-3,3-diphenylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

237.15175 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.159026 153.6
[M+Na]+ 260.140968 158.8
[M-H]- 236.144474 162.8
[M+NH4]+ 255.185573 166.2
[M+K]+ 276.114908 157.5
[M+H-H2O]+ 220.149010 140.8
[M+HCOO]- 282.149951 176.3
[M+CH3COO]- 296.165601 197.8
[M+Na-2H]- 258.126416 160.3
[M]+ 237.15120142 159.5
[M]- 237.15229858 159.5
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