CID 165705989

4-bromo-6-tert-butylpyridine-3-carbonitrile

Structural Information

Molecular Formula
C10H11BrN2
SMILES
CC(C)(C)C1=NC=C(C(=C1)Br)C#N
InChI
InChI=1S/C10H11BrN2/c1-10(2,3)9-4-8(11)7(5-12)6-13-9/h4,6H,1-3H3
InChIKey
OQLNQJIIAOEBHX-UHFFFAOYSA-N
Compound name
4-bromo-6-tert-butylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.01056 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01784 142.9
[M+Na]+ 260.99978 156.8
[M-H]- 237.00328 146.5
[M+NH4]+ 256.04438 161.4
[M+K]+ 276.97372 145.6
[M+H-H2O]+ 221.00782 136.0
[M+HCOO]- 283.00876 160.8
[M+CH3COO]- 297.02441 201.2
[M+Na-2H]- 258.98523 150.2
[M]+ 238.01001 155.4
[M]- 238.01111 155.4
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.