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]+ 186.12773 142.6
[M+Na]+ 208.10967 151.8
[M-H]- 184.11317 145.1
[M+NH4]+ 203.15427 160.3
[M+K]+ 224.08361 145.5
[M+H-H2O]+ 168.11771 129.1
[M+HCOO]- 230.11865 158.3
[M+CH3COO]- 244.13430 153.5
[M+Na-2H]- 206.09512 145.1
[M]+ 185.11990 134.3
[M]- 185.12100 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.