CID 2757027

4-bromo-julolidine

Structural Information

Molecular Formula
C12H14BrN
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)Br
InChI
InChI=1S/C12H14BrN/c13-11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8H,1-6H2
InChIKey
PVTRKHJBWSTNOI-UHFFFAOYSA-N
Compound name
7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

251.03096 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03824 150.6
[M+Na]+ 274.02018 160.1
[M-H]- 250.02368 155.7
[M+NH4]+ 269.06478 172.3
[M+K]+ 289.99412 148.8
[M+H-H2O]+ 234.02822 150.2
[M+HCOO]- 296.02916 164.8
[M+CH3COO]- 310.04481 163.8
[M+Na-2H]- 272.00563 158.9
[M]+ 251.03041 165.2
[M]- 251.03151 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe