CID 155978042

(3e)-3-[(3-bromophenyl)methylidene]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H12BrN
SMILES
C\1CNC/C1=C/C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H12BrN/c12-11-3-1-2-9(7-11)6-10-4-5-13-8-10/h1-3,6-7,13H,4-5,8H2/b10-6+
InChIKey
VTYUEORMLYWWFG-UXBLZVDNSA-N
Compound name
(3E)-3-[(3-bromophenyl)methylidene]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
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Patents

237.0153 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02258 150.9
[M+Na]+ 260.00452 153.6
[M+NH4]+ 255.04912 156.1
[M+K]+ 275.97846 153.6
[M-H]- 236.00802 152.3
[M+Na-2H]- 257.98997 154.3
[M]+ 237.01475 150.3
[M]- 237.01585 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.