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

359
Patents

210.99966 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00694 135.8
[M+Na]+ 233.98888 149.0
[M-H]- 209.99238 145.8
[M+NH4]+ 229.03348 155.1
[M+K]+ 249.96282 138.0
[M+H-H2O]+ 193.99692 136.2
[M+HCOO]- 255.99786 158.6
[M+CH3COO]- 270.01351 188.1
[M+Na-2H]- 231.97433 145.0
[M]+ 210.99911 154.0
[M]- 211.00021 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