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]+ 272.064476 157.8
[M+Na]+ 294.046418 167.2
[M-H]- 270.049924 163.2
[M+NH4]+ 289.091023 177.4
[M+K]+ 310.020358 156.0
[M+H-H2O]+ 254.054460 157.2
[M+HCOO]- 316.055401 176.8
[M+CH3COO]- 330.071051 198.4
[M+Na-2H]- 292.031866 163.0
[M]+ 271.05665142 176.1
[M]- 271.05774858 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.