CID 79016233

1270329-71-9

Structural Information

Molecular Formula
C9H11BrN2
SMILES
C1CC1C(C2=CC(=CN=C2)Br)N
InChI
InChI=1S/C9H11BrN2/c10-8-3-7(4-12-5-8)9(11)6-1-2-6/h3-6,9H,1-2,11H2
InChIKey
UTZPXWHGEBKSKC-UHFFFAOYSA-N
Compound name
(5-bromo-3-pyridinyl)-cyclopropylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

226.01056 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.017836 142.2
[M+Na]+ 248.999778 154.5
[M-H]- 225.003284 150.4
[M+NH4]+ 244.044383 157.8
[M+K]+ 264.973718 142.4
[M+H-H2O]+ 209.007820 140.7
[M+HCOO]- 271.008761 163.2
[M+CH3COO]- 285.024411 191.6
[M+Na-2H]- 246.985226 149.2
[M]+ 226.01001142 159.6
[M]- 226.01110858 159.6
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