CID 16740753

3-bromo-2-tert-butylimidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C11H13BrN2
SMILES
CC(C)(C)C1=C(N2C=CC=CC2=N1)Br
InChI
InChI=1S/C11H13BrN2/c1-11(2,3)9-10(12)14-7-5-4-6-8(14)13-9/h4-7H,1-3H3
InChIKey
IPHJVOCATFFPSZ-UHFFFAOYSA-N
Compound name
3-bromo-2-tert-butylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

252.02621 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03349 150.5
[M+Na]+ 275.01543 165.0
[M-H]- 251.01893 156.2
[M+NH4]+ 270.06003 172.5
[M+K]+ 290.98937 153.6
[M+H-H2O]+ 235.02347 150.6
[M+HCOO]- 297.02441 170.1
[M+CH3COO]- 311.04006 191.7
[M+Na-2H]- 273.00088 159.2
[M]+ 252.02566 171.9
[M]- 252.02676 171.9
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

patents stripe