CID 53211528

{3-[(5-bromopyridin-2-yl)oxy]propyl}dimethylamine

Structural Information

Molecular Formula
C10H15BrN2O
SMILES
CN(C)CCCOC1=NC=C(C=C1)Br
InChI
InChI=1S/C10H15BrN2O/c1-13(2)6-3-7-14-10-5-4-9(11)8-12-10/h4-5,8H,3,6-7H2,1-2H3
InChIKey
NDZCQLBVBUYBKW-UHFFFAOYSA-N
Compound name
3-(5-bromopyridin-2-yl)oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

258.03677 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04405 148.8
[M+Na]+ 281.02599 159.0
[M-H]- 257.02949 154.7
[M+NH4]+ 276.07059 168.5
[M+K]+ 296.99993 149.2
[M+H-H2O]+ 241.03403 147.1
[M+HCOO]- 303.03497 170.8
[M+CH3COO]- 317.05062 197.9
[M+Na-2H]- 279.01144 156.3
[M]+ 258.03622 170.2
[M]- 258.03732 170.2
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

patents stripe