CID 53403687

691872-17-0

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C1=CC(=NC=C1Br)CCN
InChI
InChI=1S/C7H9BrN2/c8-6-1-2-7(3-4-9)10-5-6/h1-2,5H,3-4,9H2
InChIKey
YSONVYGWEROTBG-UHFFFAOYSA-N
Compound name
2-(5-bromopyridin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

199.9949 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 133.2
[M+Na]+ 222.98412 144.6
[M-H]- 198.98762 137.8
[M+NH4]+ 218.02872 154.3
[M+K]+ 238.95806 133.3
[M+H-H2O]+ 182.99216 132.5
[M+HCOO]- 244.99310 154.9
[M+CH3COO]- 259.00875 183.7
[M+Na-2H]- 220.96957 142.0
[M]+ 199.99435 150.1
[M]- 199.99545 150.1
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