CID 209236

19504-36-0

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

0
Patents

213.0153 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 140.0
[M+Na]+ 236.00452 149.5
[M-H]- 212.00802 145.9
[M+NH4]+ 231.04912 161.8
[M+K]+ 251.97846 138.6
[M+H-H2O]+ 196.01256 139.6
[M+HCOO]- 258.01350 161.9
[M+CH3COO]- 272.02915 187.3
[M+Na-2H]- 233.98997 148.0
[M]+ 213.01475 157.1
[M]- 213.01585 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

No patent data available for this compound.