CID 11959031

5-bromo-2-tert-butylaniline

Structural Information

Molecular Formula
C10H14BrN
SMILES
CC(C)(C)C1=C(C=C(C=C1)Br)N
InChI
InChI=1S/C10H14BrN/c1-10(2,3)8-5-4-7(11)6-9(8)12/h4-6H,12H2,1-3H3
InChIKey
YHMAZMCTRSJZOK-UHFFFAOYSA-N
Compound name
5-bromo-2-tert-butylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03096 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03824 144.8
[M+Na]+ 250.02018 156.4
[M-H]- 226.02368 151.1
[M+NH4]+ 245.06478 166.7
[M+K]+ 265.99412 144.8
[M+H-H2O]+ 210.02822 145.1
[M+HCOO]- 272.02916 165.2
[M+CH3COO]- 286.04481 190.5
[M+Na-2H]- 248.00563 151.6
[M]+ 227.03041 162.0
[M]- 227.03151 162.0
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

patents stripe