CID 79712483

5-bromo-2-[(dimethylamino)methyl]aniline

Structural Information

Molecular Formula
C9H13BrN2
SMILES
CN(C)CC1=C(C=C(C=C1)Br)N
InChI
InChI=1S/C9H13BrN2/c1-12(2)6-7-3-4-8(10)5-9(7)11/h3-5H,6,11H2,1-2H3
InChIKey
DDPRKTNECGOQCA-UHFFFAOYSA-N
Compound name
5-bromo-2-[(dimethylamino)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

228.02621 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03349 143.0
[M+Na]+ 251.01543 153.6
[M-H]- 227.01893 150.2
[M+NH4]+ 246.06003 164.7
[M+K]+ 266.98937 142.9
[M+H-H2O]+ 211.02347 141.7
[M+HCOO]- 273.02441 166.5
[M+CH3COO]- 287.04006 195.8
[M+Na-2H]- 249.00088 149.2
[M]+ 228.02566 160.7
[M]- 228.02676 160.7
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

patents stripe