CID 64537003

2-(2-amino-2-methylpropoxy)-3-bromopyridine hydrochloride

Structural Information

Molecular Formula
C9H13BrN2O
SMILES
CC(C)(COC1=C(C=CC=N1)Br)N
InChI
InChI=1S/C9H13BrN2O/c1-9(2,11)6-13-8-7(10)4-3-5-12-8/h3-5H,6,11H2,1-2H3
InChIKey
IWVDTWLXFNKAOD-UHFFFAOYSA-N
Compound name
1-(3-bromopyridin-2-yl)oxy-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.02113 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02841 146.5
[M+Na]+ 267.01035 157.4
[M-H]- 243.01385 151.1
[M+NH4]+ 262.05495 166.0
[M+K]+ 282.98429 146.4
[M+H-H2O]+ 227.01839 145.7
[M+HCOO]- 289.01933 166.3
[M+CH3COO]- 303.03498 191.5
[M+Na-2H]- 264.99580 154.7
[M]+ 244.02058 165.0
[M]- 244.02168 165.0
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.