CID 91636071

2-[(5-bromopyridin-3-yl)amino]ethan-1-ol

Structural Information

Molecular Formula
C7H9BrN2O
SMILES
C1=C(C=NC=C1Br)NCCO
InChI
InChI=1S/C7H9BrN2O/c8-6-3-7(5-9-4-6)10-1-2-11/h3-5,10-11H,1-2H2
InChIKey
VAZZBFYFAPHBGP-UHFFFAOYSA-N
Compound name
2-[(5-bromo-3-pyridinyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.98982 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.997096 135.8
[M+Na]+ 238.979038 146.6
[M-H]- 214.982544 139.5
[M+NH4]+ 234.023643 155.8
[M+K]+ 254.952978 135.2
[M+H-H2O]+ 198.987080 134.9
[M+HCOO]- 260.988021 156.9
[M+CH3COO]- 275.003671 183.7
[M+Na-2H]- 236.964486 145.1
[M]+ 215.98927142 153.2
[M]- 215.99036858 153.2
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.