CID 45788479

1142197-19-0

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC(C)(C)C1=CN=C(C=C1)Br
InChI
InChI=1S/C9H12BrN/c1-9(2,3)7-4-5-8(10)11-6-7/h4-6H,1-3H3
InChIKey
IOGKQDRGOUALAS-UHFFFAOYSA-N
Compound name
2-bromo-5-tert-butylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

213.0153 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.022576 138.8
[M+Na]+ 236.004518 151.0
[M-H]- 212.008024 144.3
[M+NH4]+ 231.049123 160.5
[M+K]+ 251.978458 140.4
[M+H-H2O]+ 196.012560 139.4
[M+HCOO]- 258.013501 158.3
[M+CH3COO]- 272.029151 185.3
[M+Na-2H]- 233.989966 148.0
[M]+ 213.01475142 157.8
[M]- 213.01584858 157.8
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