CID 65805082

2-(2-phenylethyl)azetidine

Structural Information

Molecular Formula
C11H15N
SMILES
C1CNC1CCC2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-2-4-10(5-3-1)6-7-11-8-9-12-11/h1-5,11-12H,6-9H2
InChIKey
MDBVUENLILJJHG-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.12045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 132.6
[M+Na]+ 184.10967 137.5
[M-H]- 160.11317 135.8
[M+NH4]+ 179.15427 144.8
[M+K]+ 200.08361 137.2
[M+H-H2O]+ 144.11771 120.7
[M+HCOO]- 206.11865 152.1
[M+CH3COO]- 220.13430 179.1
[M+Na-2H]- 182.09512 139.3
[M]+ 161.11990 137.7
[M]- 161.12100 137.7
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

No patent data available for this compound.