CID 18710195

1-(4-bromophenyl)cyclopropanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

340
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

No literature data available for this compound.

Patent stripe

patents stripe