CID 23629

1-butyl-3-phenylazetidine

Structural Information

Molecular Formula
C13H19N
SMILES
CCCCN1CC(C1)C2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-2-3-9-14-10-13(11-14)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKey
YNCHHTUNHWKKPV-UHFFFAOYSA-N
Compound name
1-butyl-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 141.1
[M+Na]+ 212.14097 150.0
[M+NH4]+ 207.18557 146.5
[M+K]+ 228.11491 144.0
[M-H]- 188.14447 142.4
[M+Na-2H]- 210.12642 147.0
[M]+ 189.15120 141.6
[M]- 189.15230 141.6
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

patents stripe