CID 59406382

1038408-35-3

Structural Information

Molecular Formula
C9H13BrN2
SMILES
CC(C)NC1=C(C=CC(=C1)Br)N
InChI
InChI=1S/C9H13BrN2/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6,12H,11H2,1-2H3
InChIKey
OXYJCZYMCDLXRM-UHFFFAOYSA-N
Compound name
4-bromo-2-N-propan-2-ylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

228.02621 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03349 143.8
[M+Na]+ 251.01543 153.9
[M-H]- 227.01893 149.7
[M+NH4]+ 246.06003 164.8
[M+K]+ 266.98937 142.3
[M+H-H2O]+ 211.02347 142.6
[M+HCOO]- 273.02441 165.8
[M+CH3COO]- 287.04006 193.4
[M+Na-2H]- 249.00088 149.5
[M]+ 228.02566 159.7
[M]- 228.02676 159.7
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