CID 12491040

Pyrrolidine, 1-3-(3-chlorophenyl)-2-propynyl-

Structural Information

Molecular Formula
C13H14ClN
SMILES
C1CCN(C1)CC#CC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H14ClN/c14-13-7-3-5-12(11-13)6-4-10-15-8-1-2-9-15/h3,5,7,11H,1-2,8-10H2
InChIKey
AOLWOBQUOPZVBU-UHFFFAOYSA-N
Compound name
1-[3-(3-chlorophenyl)prop-2-ynyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08148 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08876 150.4
[M+Na]+ 242.07070 160.6
[M-H]- 218.07420 152.7
[M+NH4]+ 237.11530 167.7
[M+K]+ 258.04464 152.4
[M+H-H2O]+ 202.07874 137.2
[M+HCOO]- 264.07968 161.9
[M+CH3COO]- 278.09533 160.8
[M+Na-2H]- 240.05615 152.2
[M]+ 219.08093 143.7
[M]- 219.08203 143.7
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.