CID 91654584

2490430-17-4

Structural Information

Molecular Formula
C8H9BrN2
SMILES
C1C(CN1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C8H9BrN2/c9-7-1-2-8(11-5-7)6-3-10-4-6/h1-2,5-6,10H,3-4H2
InChIKey
VVAWGZDWSPQMKG-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yl)-5-bromopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

211.9949 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00218 127.7
[M+Na]+ 234.98412 137.9
[M-H]- 210.98762 132.9
[M+NH4]+ 230.02872 141.0
[M+K]+ 250.95806 129.7
[M+H-H2O]+ 194.99216 122.4
[M+HCOO]- 256.99310 145.1
[M+CH3COO]- 271.00875 184.3
[M+Na-2H]- 232.96957 136.8
[M]+ 211.99435 150.6
[M]- 211.99545 150.6
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