CID 23630

Azetidine, 1-isobutyl-3-phenyl-

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C)CN1CC(C1)C2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-11(2)8-14-9-13(10-14)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKey
XACYTWVGVOHHMB-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.15175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 142.6
[M+Na]+ 212.140968 147.7
[M-H]- 188.144474 147.3
[M+NH4]+ 207.185573 154.6
[M+K]+ 228.114908 148.2
[M+H-H2O]+ 172.149010 130.3
[M+HCOO]- 234.149951 161.9
[M+CH3COO]- 248.165601 189.4
[M+Na-2H]- 210.126416 146.6
[M]+ 189.15120142 150.0
[M]- 189.15229858 150.0
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