CID 155819892

3-[1-(4-bromophenyl)cyclopropyl]azetidine hydrochloride

Structural Information

Molecular Formula
C12H14BrN
SMILES
C1CC1(C2CNC2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C12H14BrN/c13-11-3-1-9(2-4-11)12(5-6-12)10-7-14-8-10/h1-4,10,14H,5-8H2
InChIKey
LVTRYQCDGPZMOA-UHFFFAOYSA-N
Compound name
3-[1-(4-bromophenyl)cyclopropyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

251.03096 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03824 141.2
[M+Na]+ 274.02018 152.4
[M-H]- 250.02368 151.1
[M+NH4]+ 269.06478 152.0
[M+K]+ 289.99412 144.0
[M+H-H2O]+ 234.02822 137.0
[M+HCOO]- 296.02916 159.2
[M+CH3COO]- 310.04481 155.0
[M+Na-2H]- 272.00563 149.3
[M]+ 251.03041 165.4
[M]- 251.03151 165.4
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.