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

5
Patents

241.01022 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 145.6
[M+Na]+ 263.99944 154.9
[M-H]- 240.00294 153.4
[M+NH4]+ 259.04404 164.0
[M+K]+ 279.97338 145.6
[M+H-H2O]+ 224.00748 144.8
[M+HCOO]- 286.00842 162.8
[M+CH3COO]- 300.02407 159.6
[M+Na-2H]- 261.98489 153.7
[M]+ 241.00967 160.9
[M]- 241.01077 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