CID 155819979

3-[(4-bromo-2-methylphenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula
C11H14BrN
SMILES
CC1=C(C=CC(=C1)Br)CC2CNC2
InChI
InChI=1S/C11H14BrN/c1-8-4-11(12)3-2-10(8)5-9-6-13-7-9/h2-4,9,13H,5-7H2,1H3
InChIKey
SFQAFPFQZOVGKG-UHFFFAOYSA-N
Compound name
3-[(4-bromo-2-methylphenyl)methyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

239.03096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.038236 138.1
[M+Na]+ 262.020178 147.9
[M-H]- 238.023684 144.6
[M+NH4]+ 257.064783 152.0
[M+K]+ 277.994118 139.1
[M+H-H2O]+ 222.028220 133.2
[M+HCOO]- 284.029161 155.7
[M+CH3COO]- 298.044811 191.0
[M+Na-2H]- 260.005626 144.8
[M]+ 239.03041142 161.8
[M]- 239.03150858 161.8
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