CID 84107869

2,2-dimethyl-3-phenylazetidine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1(C(CN1)C2=CC=CC=C2)C
InChI
InChI=1S/C11H15N/c1-11(2)10(8-12-11)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3
InChIKey
KHFQDIOJVFFXSP-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.12045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 134.9
[M+Na]+ 184.109668 141.7
[M-H]- 160.113174 139.1
[M+NH4]+ 179.154273 149.5
[M+K]+ 200.083608 141.4
[M+H-H2O]+ 144.117710 124.3
[M+HCOO]- 206.118651 154.5
[M+CH3COO]- 220.134301 179.7
[M+Na-2H]- 182.095116 141.6
[M]+ 161.11990142 140.7
[M]- 161.12099858 140.7
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.