CID 209236

Phenethylamine, beta-bromo-n-methyl-, hydrobromide

Structural Information

Molecular Formula
C9H12BrN
SMILES
CNCC(C1=CC=CC=C1)Br
InChI
InChI=1S/C9H12BrN/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChIKey
CPHZSJUUVVLBKT-UHFFFAOYSA-N
Compound name
2-bromo-N-methyl-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.0153 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.022576 140.0
[M+Na]+ 236.004518 149.5
[M-H]- 212.008024 145.9
[M+NH4]+ 231.049123 161.8
[M+K]+ 251.978458 138.6
[M+H-H2O]+ 196.012560 139.6
[M+HCOO]- 258.013501 161.9
[M+CH3COO]- 272.029151 187.3
[M+Na-2H]- 233.989966 148.0
[M]+ 213.01475142 157.1
[M]- 213.01584858 157.1
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

patents stripe