CID 131554321

2-bromo-5-tert-butyl-n-methylaniline hydrochloride

Structural Information

Molecular Formula
C11H16BrN
SMILES
CC(C)(C)C1=CC(=C(C=C1)Br)NC
InChI
InChI=1S/C11H16BrN/c1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5-7,13H,1-4H3
InChIKey
JZJUVNNXMCJLGA-UHFFFAOYSA-N
Compound name
2-bromo-5-tert-butyl-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04662 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05390 148.5
[M+Na]+ 264.03584 159.6
[M-H]- 240.03934 155.0
[M+NH4]+ 259.08044 170.1
[M+K]+ 280.00978 148.2
[M+H-H2O]+ 224.04388 148.5
[M+HCOO]- 286.04482 169.2
[M+CH3COO]- 300.06047 194.0
[M+Na-2H]- 262.02129 155.8
[M]+ 241.04607 167.0
[M]- 241.04717 167.0
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.