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-bromopyridin-3-yl)-cyclopropylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

226.01056 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01784 142.2
[M+Na]+ 248.99978 154.5
[M-H]- 225.00328 150.4
[M+NH4]+ 244.04438 157.8
[M+K]+ 264.97372 142.4
[M+H-H2O]+ 209.00782 140.7
[M+HCOO]- 271.00876 163.2
[M+CH3COO]- 285.02441 191.6
[M+Na-2H]- 246.98523 149.2
[M]+ 226.01001 159.6
[M]- 226.01111 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