CID 79017298

2503208-77-1

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 144.7
[M+Na]+ 262.02018 144.8
[M+NH4]+ 257.06478 147.9
[M+K]+ 277.99412 143.9
[M-H]- 238.02368 144.1
[M+Na-2H]- 260.00563 148.4
[M]+ 239.03041 142.6
[M]- 239.03151 142.6
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.