CID 70223643

(2s)-2-[(5-bromopyridin-2-yl)amino]propan-1-ol

Structural Information

Molecular Formula
C8H11BrN2O
SMILES
C[C@@H](CO)NC1=NC=C(C=C1)Br
InChI
InChI=1S/C8H11BrN2O/c1-6(5-12)11-8-3-2-7(9)4-10-8/h2-4,6,12H,5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKey
MHMPNNKNGPHJAE-LURJTMIESA-N
Compound name
(2S)-2-[(5-bromopyridin-2-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

230.00548 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01276 141.2
[M+Na]+ 252.99470 151.3
[M-H]- 228.99820 144.8
[M+NH4]+ 248.03930 160.6
[M+K]+ 268.96864 140.1
[M+H-H2O]+ 213.00274 140.2
[M+HCOO]- 275.00368 161.0
[M+CH3COO]- 289.01933 187.4
[M+Na-2H]- 250.98015 148.7
[M]+ 230.00493 158.4
[M]- 230.00603 158.4
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