CID 299616

1-(prop-2-yn-1-yl)pyrrolidine

Structural Information

Molecular Formula
C7H11N
SMILES
C#CCN1CCCC1
InChI
InChI=1S/C7H11N/c1-2-5-8-6-3-4-7-8/h1H,3-7H2
InChIKey
IUGUPWHFLZEPHN-UHFFFAOYSA-N
Compound name
1-prop-2-ynylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

488
Patents

109.08915 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.096426 121.2
[M+Na]+ 132.078368 130.2
[M-H]- 108.081874 121.5
[M+NH4]+ 127.122973 141.8
[M+K]+ 148.052308 127.3
[M+H-H2O]+ 92.086410 109.1
[M+HCOO]- 154.087351 137.4
[M+CH3COO]- 168.103001 177.0
[M+Na-2H]- 130.063816 125.7
[M]+ 109.08860142 113.2
[M]- 109.08969858 113.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe