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

1
Patents

237.15175 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15903 153.6
[M+Na]+ 260.14097 158.8
[M-H]- 236.14447 162.8
[M+NH4]+ 255.18557 166.2
[M+K]+ 276.11491 157.5
[M+H-H2O]+ 220.14901 140.8
[M+HCOO]- 282.14995 176.3
[M+CH3COO]- 296.16560 197.8
[M+Na-2H]- 258.12642 160.3
[M]+ 237.15120 159.5
[M]- 237.15230 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