CID 165871176

3-[(4-bromophenyl)methylidene]pyrrolidine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

237.0153 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.022576 148.7
[M+Na]+ 260.004518 158.7
[M-H]- 236.008024 154.9
[M+NH4]+ 255.049123 169.7
[M+K]+ 275.978458 146.2
[M+H-H2O]+ 220.012560 148.4
[M+HCOO]- 282.013501 167.2
[M+CH3COO]- 296.029151 162.5
[M+Na-2H]- 257.989966 153.5
[M]+ 237.01475142 161.9
[M]- 237.01584858 161.9
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