CID 61616466

1-(4-bromophenyl)-1-methoxypropan-2-amine hydrochloride

Structural Information

Molecular Formula
C10H14BrNO
SMILES
CC(C(C1=CC=C(C=C1)Br)OC)N
InChI
InChI=1S/C10H14BrNO/c1-7(12)10(13-2)8-3-5-9(11)6-4-8/h3-7,10H,12H2,1-2H3
InChIKey
WMCBXGLHDYAABK-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-1-methoxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.02588 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.03316 148.7
[M+Na]+ 266.01510 158.1
[M-H]- 242.01860 154.2
[M+NH4]+ 261.05970 169.1
[M+K]+ 281.98904 147.5
[M+H-H2O]+ 226.02314 147.9
[M+HCOO]- 288.02408 168.8
[M+CH3COO]- 302.03973 193.2
[M+Na-2H]- 264.00055 153.1
[M]+ 243.02533 166.1
[M]- 243.02643 166.1
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.