CID 121553071

3-(4-bromooxan-2-yl)pyridine

Structural Information

Molecular Formula
C10H12BrNO
SMILES
C1COC(CC1Br)C2=CN=CC=C2
InChI
InChI=1S/C10H12BrNO/c11-9-3-5-13-10(6-9)8-2-1-4-12-7-8/h1-2,4,7,9-10H,3,5-6H2
InChIKey
YKRRLBRBTLEKED-UHFFFAOYSA-N
Compound name
3-(4-bromooxan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.01022 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 145.6
[M+Na]+ 263.999438 154.9
[M-H]- 240.002944 153.4
[M+NH4]+ 259.044043 164.0
[M+K]+ 279.973378 145.6
[M+H-H2O]+ 224.007480 144.8
[M+HCOO]- 286.008421 162.8
[M+CH3COO]- 300.024071 159.6
[M+Na-2H]- 261.984886 153.7
[M]+ 241.00967142 160.9
[M]- 241.01076858 160.9
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