CID 119031841

1-benzyl-3-ethynylpyrrolidine

Structural Information

Molecular Formula
C13H15N
SMILES
C#CC1CCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H15N/c1-2-12-8-9-14(10-12)11-13-6-4-3-5-7-13/h1,3-7,12H,8-11H2
InChIKey
KLZFBGALELQEMD-UHFFFAOYSA-N
Compound name
1-benzyl-3-ethynylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.12045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.127726 142.6
[M+Na]+ 208.109668 151.8
[M-H]- 184.113174 145.1
[M+NH4]+ 203.154273 160.3
[M+K]+ 224.083608 145.5
[M+H-H2O]+ 168.117710 129.1
[M+HCOO]- 230.118651 158.3
[M+CH3COO]- 244.134301 153.5
[M+Na-2H]- 206.095116 145.1
[M]+ 185.11990142 134.3
[M]- 185.12099858 134.3
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.