CID 122198366

2172601-64-6

Structural Information

Molecular Formula
C10H14BrN
SMILES
CC(C)(C)C1=CN=CC(=C1)CBr
InChI
InChI=1S/C10H14BrN/c1-10(2,3)9-4-8(5-11)6-12-7-9/h4,6-7H,5H2,1-3H3
InChIKey
CYHOMXYVYANMLW-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-5-tert-butylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03096 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03824 143.5
[M+Na]+ 250.02018 155.3
[M-H]- 226.02368 148.8
[M+NH4]+ 245.06478 164.7
[M+K]+ 265.99412 144.4
[M+H-H2O]+ 210.02822 143.8
[M+HCOO]- 272.02916 162.7
[M+CH3COO]- 286.04481 188.1
[M+Na-2H]- 248.00563 152.2
[M]+ 227.03041 162.8
[M]- 227.03151 162.8
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

No patent data available for this compound.