CID 58102386

2225126-63-4

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC1=C(C=CC(=C1)Br)[C@H](C)N
InChI
InChI=1S/C9H12BrN/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5,7H,11H2,1-2H3/t7-/m0/s1
InChIKey
GMCHYPOMQPPOJT-ZETCQYMHSA-N
Compound name
(1S)-1-(4-bromo-2-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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 137.9
[M+Na]+ 236.00452 141.2
[M+NH4]+ 231.04912 143.4
[M+K]+ 251.97846 141.1
[M-H]- 212.00802 139.5
[M+Na-2H]- 233.98997 141.7
[M]+ 213.01475 137.6
[M]- 213.01585 137.6
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