CID 81706088

5-(2-bromo-3-methylphenyl)-5-azaspiro(2.3)hexane

Structural Information

Molecular Formula
C12H14BrN
SMILES
CC1=C(C(=CC=C1)N2CC3(C2)CC3)Br
InChI
InChI=1S/C12H14BrN/c1-9-3-2-4-10(11(9)13)14-7-12(8-14)5-6-12/h2-4H,5-8H2,1H3
InChIKey
UOJYWZYEICJBEK-UHFFFAOYSA-N
Compound name
5-(2-bromo-3-methylphenyl)-5-azaspiro[2.3]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 141.9
[M+Na]+ 274.02018 154.9
[M-H]- 250.02368 152.7
[M+NH4]+ 269.06478 154.2
[M+K]+ 289.99412 146.9
[M+H-H2O]+ 234.02822 137.9
[M+HCOO]- 296.02916 161.0
[M+CH3COO]- 310.04481 197.4
[M+Na-2H]- 272.00563 150.2
[M]+ 251.03041 168.6
[M]- 251.03151 168.6
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.