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

11
Patents

239.03096 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03824 138.3
[M+Na]+ 262.02018 148.1
[M-H]- 238.02368 144.9
[M+NH4]+ 257.06478 153.8
[M+K]+ 277.99412 139.4
[M+H-H2O]+ 222.02822 134.4
[M+HCOO]- 284.02916 156.0
[M+CH3COO]- 298.04481 189.6
[M+Na-2H]- 260.00563 146.6
[M]+ 239.03041 162.1
[M]- 239.03151 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.