CID 55283012

2-(2,6-dimethylphenyl)azetidine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=C(C(=CC=C1)C)C2CCN2
InChI
InChI=1S/C11H15N/c1-8-4-3-5-9(2)11(8)10-6-7-12-10/h3-5,10,12H,6-7H2,1-2H3
InChIKey
LEBWGOXBPAWYTK-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 133.3
[M+Na]+ 184.10967 140.1
[M-H]- 160.11317 137.4
[M+NH4]+ 179.15427 146.2
[M+K]+ 200.08361 139.8
[M+H-H2O]+ 144.11771 122.0
[M+HCOO]- 206.11865 152.9
[M+CH3COO]- 220.13430 181.2
[M+Na-2H]- 182.09512 138.5
[M]+ 161.11990 139.3
[M]- 161.12100 139.3
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.