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

4
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 140.8
[M+Na]+ 212.140968 146.3
[M-H]- 188.144474 145.5
[M+NH4]+ 207.185573 153.0
[M+K]+ 228.114908 146.4
[M+H-H2O]+ 172.149010 128.6
[M+HCOO]- 234.149951 161.2
[M+CH3COO]- 248.165601 188.6
[M+Na-2H]- 210.126416 146.2
[M]+ 189.15120142 148.9
[M]- 189.15229858 148.9
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