CID 104030726

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

Structural Information

Molecular Formula
C11H17BrN2O
SMILES
CC1=CC(=CN=C1OCCCN(C)C)Br
InChI
InChI=1S/C11H17BrN2O/c1-9-7-10(12)8-13-11(9)15-6-4-5-14(2)3/h7-8H,4-6H2,1-3H3
InChIKey
IODGMVPYWTYYJF-UHFFFAOYSA-N
Compound name
3-(5-bromo-3-methylpyridin-2-yl)oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

272.05243 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05971 153.0
[M+Na]+ 295.04165 163.7
[M-H]- 271.04515 159.1
[M+NH4]+ 290.08625 172.5
[M+K]+ 311.01559 153.6
[M+H-H2O]+ 255.04969 151.2
[M+HCOO]- 317.05063 174.7
[M+CH3COO]- 331.06628 201.8
[M+Na-2H]- 293.02710 159.3
[M]+ 272.05188 175.1
[M]- 272.05298 175.1
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