CID 62049375

1-(4-bromobenzenecarboximidoyl)pyrrolidine hydroiodide

Structural Information

Molecular Formula
C11H13BrN2
SMILES
C1CCN(C1)C(=N)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H13BrN2/c12-10-5-3-9(4-6-10)11(13)14-7-1-2-8-14/h3-6,13H,1-2,7-8H2
InChIKey
VKPXOIYMDIOFLO-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-pyrrolidin-1-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02621 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03349 151.7
[M+Na]+ 275.01543 160.9
[M-H]- 251.01893 159.2
[M+NH4]+ 270.06003 172.3
[M+K]+ 290.98937 149.4
[M+H-H2O]+ 235.02347 150.4
[M+HCOO]- 297.02441 171.6
[M+CH3COO]- 311.04006 191.4
[M+Na-2H]- 273.00088 156.2
[M]+ 252.02566 165.4
[M]- 252.02676 165.4
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

No patent data available for this compound.