CID 23634

3-ethyl-3-phenylazetidine

Structural Information

Molecular Formula
C11H15N
SMILES
CCC1(CNC1)C2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-2-11(8-12-9-11)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKey
BGAVUZCQVCIEHP-UHFFFAOYSA-N
Compound name
3-ethyl-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

161.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 134.9
[M+Na]+ 184.10967 140.8
[M-H]- 160.11317 138.7
[M+NH4]+ 179.15427 149.2
[M+K]+ 200.08361 140.5
[M+H-H2O]+ 144.11771 124.0
[M+HCOO]- 206.11865 154.5
[M+CH3COO]- 220.13430 178.7
[M+Na-2H]- 182.09512 142.4
[M]+ 161.11990 140.4
[M]- 161.12100 140.4
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