CID 93083491

(2r)-2-[(5-bromopyridin-2-yl)amino]butan-1-ol

Structural Information

Molecular Formula
C9H13BrN2O
SMILES
CC[C@H](CO)NC1=NC=C(C=C1)Br
InChI
InChI=1S/C9H13BrN2O/c1-2-8(6-13)12-9-4-3-7(10)5-11-9/h3-5,8,13H,2,6H2,1H3,(H,11,12)/t8-/m1/s1
InChIKey
FCWKXTMGIGNUTC-MRVPVSSYSA-N
Compound name
(2R)-2-[(5-bromopyridin-2-yl)amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.02113 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02841 145.8
[M+Na]+ 267.01035 155.5
[M-H]- 243.01385 149.2
[M+NH4]+ 262.05495 164.6
[M+K]+ 282.98429 144.0
[M+H-H2O]+ 227.01839 144.6
[M+HCOO]- 289.01933 165.2
[M+CH3COO]- 303.03498 190.2
[M+Na-2H]- 264.99580 152.7
[M]+ 244.02058 163.2
[M]- 244.02168 163.2
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.