CID 92207939

2225126-87-2

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC1=C(C=CC(=C1)[C@@H](C)N)Br
InChI
InChI=1S/C9H12BrN/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5,7H,11H2,1-2H3/t7-/m1/s1
InChIKey
GPDLQTSXVDZBBN-SSDOTTSWSA-N
Compound name
(1R)-1-(4-bromo-3-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0153 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 139.9
[M+Na]+ 236.00452 151.1
[M-H]- 212.00802 146.0
[M+NH4]+ 231.04912 162.0
[M+K]+ 251.97846 139.8
[M+H-H2O]+ 196.01256 139.8
[M+HCOO]- 258.01350 161.2
[M+CH3COO]- 272.02915 188.7
[M+Na-2H]- 233.98997 145.5
[M]+ 213.01475 156.7
[M]- 213.01585 156.7
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.