CID 23637

3-butyl-3-phenylazetidine

Structural Information

Molecular Formula
C13H19N
SMILES
CCCCC1(CNC1)C2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-2-3-9-13(10-14-11-13)12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3
InChIKey
FUZSHSPOYAFLEY-UHFFFAOYSA-N
Compound name
3-butyl-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.15175 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 144.1
[M+Na]+ 212.140968 149.1
[M-H]- 188.144474 147.5
[M+NH4]+ 207.185573 157.2
[M+K]+ 228.114908 148.3
[M+H-H2O]+ 172.149010 132.7
[M+HCOO]- 234.149951 163.0
[M+CH3COO]- 248.165601 184.5
[M+Na-2H]- 210.126416 150.4
[M]+ 189.15120142 150.2
[M]- 189.15229858 150.2
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