CID 131143775

1369781-97-4

Structural Information

Molecular Formula
C8H11BrN2
SMILES
CN(C)C1=CC(=CC(=C1)N)Br
InChI
InChI=1S/C8H11BrN2/c1-11(2)8-4-6(9)3-7(10)5-8/h3-5H,10H2,1-2H3
InChIKey
VDWGNHXTMNHNNT-UHFFFAOYSA-N
Compound name
5-bromo-3-N,3-N-dimethylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.01056 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.017836 138.4
[M+Na]+ 236.999778 149.4
[M-H]- 213.003284 145.8
[M+NH4]+ 232.044383 160.6
[M+K]+ 252.973718 138.9
[M+H-H2O]+ 197.007820 137.3
[M+HCOO]- 259.008761 162.2
[M+CH3COO]- 273.024411 192.9
[M+Na-2H]- 234.985226 145.1
[M]+ 214.01001142 155.7
[M]- 214.01110858 155.7
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.