CID 79017298

3-[(4-bromophenyl)methyl]-3-methylazetidine hydrochloride

Structural Information

Molecular Formula
C11H14BrN
SMILES
CC1(CNC1)CC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H14BrN/c1-11(7-13-8-11)6-9-2-4-10(12)5-3-9/h2-5,13H,6-8H2,1H3
InChIKey
SOMUPHVFELPMLX-UHFFFAOYSA-N
Compound name
3-[(4-bromophenyl)methyl]-3-methylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.03096 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.038236 138.3
[M+Na]+ 262.020178 148.1
[M-H]- 238.023684 144.9
[M+NH4]+ 257.064783 153.8
[M+K]+ 277.994118 139.4
[M+H-H2O]+ 222.028220 134.4
[M+HCOO]- 284.029161 156.0
[M+CH3COO]- 298.044811 189.6
[M+Na-2H]- 260.005626 146.6
[M]+ 239.03041142 162.1
[M]- 239.03150858 162.1
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.