CID 57346521

1060811-33-7

Structural Information

Molecular Formula
C8H9BrN2
SMILES
C1CC1(C2=NC(=CC=C2)Br)N
InChI
InChI=1S/C8H9BrN2/c9-7-3-1-2-6(11-7)8(10)4-5-8/h1-3H,4-5,10H2
InChIKey
BAEAFXDAFMBZRR-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-pyridinyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.9949 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.002176 137.5
[M+Na]+ 234.984118 151.1
[M-H]- 210.987624 146.2
[M+NH4]+ 230.028723 155.5
[M+K]+ 250.958058 139.9
[M+H-H2O]+ 194.992160 137.2
[M+HCOO]- 256.993101 159.4
[M+CH3COO]- 271.008751 152.7
[M+Na-2H]- 232.969566 147.0
[M]+ 211.99435142 155.7
[M]- 211.99544858 155.7
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