CID 10921794

1-(2-bromophenyl)cyclopropanamine

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1CC1(C2=CC=CC=C2Br)N
InChI
InChI=1S/C9H10BrN/c10-8-4-2-1-3-7(8)9(11)5-6-9/h1-4H,5-6,11H2
InChIKey
ZNEIQQJRUBZVCL-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

210.99966 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.006936 135.8
[M+Na]+ 233.988878 149.0
[M-H]- 209.992384 145.8
[M+NH4]+ 229.033483 155.1
[M+K]+ 249.962818 138.0
[M+H-H2O]+ 193.996920 136.2
[M+HCOO]- 255.997861 158.6
[M+CH3COO]- 270.013511 188.1
[M+Na-2H]- 231.974326 145.0
[M]+ 210.99911142 154.0
[M]- 211.00020858 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe