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]+ 253.033486 151.7
[M+Na]+ 275.015428 160.9
[M-H]- 251.018934 159.2
[M+NH4]+ 270.060033 172.3
[M+K]+ 290.989368 149.4
[M+H-H2O]+ 235.023470 150.4
[M+HCOO]- 297.024411 171.6
[M+CH3COO]- 311.040061 191.4
[M+Na-2H]- 273.000876 156.2
[M]+ 252.02566142 165.4
[M]- 252.02675858 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.