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

3
Patents

189.15175 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 144.1
[M+Na]+ 212.14097 149.1
[M-H]- 188.14447 147.5
[M+NH4]+ 207.18557 157.2
[M+K]+ 228.11491 148.3
[M+H-H2O]+ 172.14901 132.7
[M+HCOO]- 234.14995 163.0
[M+CH3COO]- 248.16560 184.5
[M+Na-2H]- 210.12642 150.4
[M]+ 189.15120 150.2
[M]- 189.15230 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