CID 22026326

1-(2-bromophenyl)propan-2-amine

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC(CC1=CC=CC=C1Br)N
InChI
InChI=1S/C9H12BrN/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7H,6,11H2,1H3
InChIKey
VGJBPBDFJNFFRO-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

22
Patents

213.0153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.022576 140.5
[M+Na]+ 236.004518 150.8
[M-H]- 212.008024 146.2
[M+NH4]+ 231.049123 162.3
[M+K]+ 251.978458 139.5
[M+H-H2O]+ 196.012560 140.2
[M+HCOO]- 258.013501 161.8
[M+CH3COO]- 272.029151 187.7
[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