CID 10488798

(4-bromophenyl)isopropylamine hydrobromide

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC(C)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H12BrN/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,11H,1-2H3
InChIKey
GCAYZUSDLCJJAW-UHFFFAOYSA-N
Compound name
4-bromo-N-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

213.0153 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.022576 139.5
[M+Na]+ 236.004518 149.8
[M-H]- 212.008024 145.8
[M+NH4]+ 231.049123 161.6
[M+K]+ 251.978458 138.9
[M+H-H2O]+ 196.012560 139.2
[M+HCOO]- 258.013501 161.4
[M+CH3COO]- 272.029151 188.3
[M+Na-2H]- 233.989966 146.8
[M]+ 213.01475142 156.9
[M]- 213.01584858 156.9
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