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 154.9
[M+Na]+ 294.04642 165.1
[M-H]- 270.04992 162.2
[M+NH4]+ 289.09102 175.6
[M+K]+ 310.02036 155.0
[M+H-H2O]+ 254.05446 153.7
[M+HCOO]- 316.05540 177.4
[M+CH3COO]- 330.07105 202.2
[M+Na-2H]- 292.03187 160.4
[M]+ 271.05665 176.7
[M]- 271.05775 176.7
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