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]+ 215.01784 138.4
[M+Na]+ 236.99978 149.4
[M-H]- 213.00328 145.8
[M+NH4]+ 232.04438 160.6
[M+K]+ 252.97372 138.9
[M+H-H2O]+ 197.00782 137.3
[M+HCOO]- 259.00876 162.2
[M+CH3COO]- 273.02441 192.9
[M+Na-2H]- 234.98523 145.1
[M]+ 214.01001 155.7
[M]- 214.01111 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.