CID 20377

1-ethyl-3-phenylazetidine

Structural Information

Molecular Formula
C11H15N
SMILES
CCN1CC(C1)C2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-2-12-8-11(9-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKey
MWQYROZEYNBIDS-UHFFFAOYSA-N
Compound name
1-ethyl-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 131.4
[M+Na]+ 184.10967 137.8
[M-H]- 160.11317 136.5
[M+NH4]+ 179.15427 144.7
[M+K]+ 200.08361 138.3
[M+H-H2O]+ 144.11771 119.6
[M+HCOO]- 206.11865 152.5
[M+CH3COO]- 220.13430 182.8
[M+Na-2H]- 182.09512 138.0
[M]+ 161.11990 138.8
[M]- 161.12100 138.8
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