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-bromopyridin-3-yl)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]+ 216.99710 135.8
[M+Na]+ 238.97904 146.6
[M-H]- 214.98254 139.5
[M+NH4]+ 234.02364 155.8
[M+K]+ 254.95298 135.2
[M+H-H2O]+ 198.98708 134.9
[M+HCOO]- 260.98802 156.9
[M+CH3COO]- 275.00367 183.7
[M+Na-2H]- 236.96449 145.1
[M]+ 215.98927 153.2
[M]- 215.99037 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.