CID 79197774

1-(4-bromophenyl)-3-methoxy-3-methylbutan-2-amine hydrochloride

Structural Information

Molecular Formula
C12H18BrNO
SMILES
CC(C)(C(CC1=CC=C(C=C1)Br)N)OC
InChI
InChI=1S/C12H18BrNO/c1-12(2,15-3)11(14)8-9-4-6-10(13)7-5-9/h4-7,11H,8,14H2,1-3H3
InChIKey
JAAROPVQJLOSDO-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-methoxy-3-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0572 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06448 157.8
[M+Na]+ 294.04642 167.2
[M-H]- 270.04992 163.2
[M+NH4]+ 289.09102 177.4
[M+K]+ 310.02036 156.0
[M+H-H2O]+ 254.05446 157.2
[M+HCOO]- 316.05540 176.8
[M+CH3COO]- 330.07105 198.4
[M+Na-2H]- 292.03187 163.0
[M]+ 271.05665 176.1
[M]- 271.05775 176.1
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

No patent data available for this compound.