CID 66818301

[3-(4-bromo-3-methylphenoxy)propyl]dimethylamine

Structural Information

Molecular Formula
C12H18BrNO
SMILES
CC1=C(C=CC(=C1)OCCCN(C)C)Br
InChI
InChI=1S/C12H18BrNO/c1-10-9-11(5-6-12(10)13)15-8-4-7-14(2)3/h5-6,9H,4,7-8H2,1-3H3
InChIKey
FGLPUIRGUXXXPM-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-methylphenoxy)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

271.0572 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06448 153.5
[M+Na]+ 294.04642 156.6
[M+NH4]+ 289.09102 158.5
[M+K]+ 310.02036 155.7
[M-H]- 270.04992 155.2
[M+Na-2H]- 292.03187 157.1
[M]+ 271.05665 153.3
[M]- 271.05775 153.3
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