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

68
Patents

228.02621 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.033486 143.8
[M+Na]+ 251.015428 153.9
[M-H]- 227.018934 149.7
[M+NH4]+ 246.060033 164.8
[M+K]+ 266.989368 142.3
[M+H-H2O]+ 211.023470 142.6
[M+HCOO]- 273.024411 165.8
[M+CH3COO]- 287.040061 193.4
[M+Na-2H]- 249.000876 149.5
[M]+ 228.02566142 159.7
[M]- 228.02675858 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