CID 23291925

3-bromo-4-methyl-n-(propan-2-yl)aniline

Structural Information

Molecular Formula
C10H14BrN
SMILES
CC1=C(C=C(C=C1)NC(C)C)Br
InChI
InChI=1S/C10H14BrN/c1-7(2)12-9-5-4-8(3)10(11)6-9/h4-7,12H,1-3H3
InChIKey
OAIZUIJUSWRJEM-UHFFFAOYSA-N
Compound name
3-bromo-4-methyl-N-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

227.03096 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.038236 143.5
[M+Na]+ 250.020178 154.3
[M-H]- 226.023684 150.0
[M+NH4]+ 245.064783 165.4
[M+K]+ 265.994118 143.2
[M+H-H2O]+ 210.028220 143.2
[M+HCOO]- 272.029161 165.1
[M+CH3COO]- 286.044811 192.2
[M+Na-2H]- 248.005626 149.7
[M]+ 227.03041142 161.6
[M]- 227.03150858 161.6
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