CID 66350979

3-methyl-2-(4-methylphenyl)azetidine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1CNC1C2=CC=C(C=C2)C
InChI
InChI=1S/C11H15N/c1-8-3-5-10(6-4-8)11-9(2)7-12-11/h3-6,9,11-12H,7H2,1-2H3
InChIKey
PQUUZKNZDXMPIY-UHFFFAOYSA-N
Compound name
3-methyl-2-(4-methylphenyl)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]+ 162.127726 133.3
[M+Na]+ 184.109668 140.1
[M-H]- 160.113174 137.4
[M+NH4]+ 179.154273 146.2
[M+K]+ 200.083608 139.8
[M+H-H2O]+ 144.117710 122.0
[M+HCOO]- 206.118651 152.9
[M+CH3COO]- 220.134301 181.2
[M+Na-2H]- 182.095116 138.5
[M]+ 161.11990142 139.3
[M]- 161.12099858 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.