CID 57356818

1384265-23-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

211.9949 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00218 137.5
[M+Na]+ 234.98412 151.1
[M-H]- 210.98762 146.2
[M+NH4]+ 230.02872 155.5
[M+K]+ 250.95806 139.9
[M+H-H2O]+ 194.99216 137.2
[M+HCOO]- 256.99310 159.4
[M+CH3COO]- 271.00875 152.7
[M+Na-2H]- 232.96957 147.0
[M]+ 211.99435 155.7
[M]- 211.99545 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