CID 11127564

1-(3-bromophenyl)cyclopropan-1-amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
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

literature stripe

Patent stripe

patents stripe