CID 11116191

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

Structural Information

Molecular Formula
C7H11N
SMILES
C#CCC1CCCN1
InChI
InChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h1,7-8H,3-6H2
InChIKey
IQRIESRXVGDQDQ-UHFFFAOYSA-N
Compound name
2-prop-2-ynylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
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 123.0
[M+Na]+ 132.078368 131.6
[M-H]- 108.081874 122.1
[M+NH4]+ 127.122973 142.9
[M+K]+ 148.052308 127.9
[M+H-H2O]+ 92.086410 111.1
[M+HCOO]- 154.087351 137.9
[M+CH3COO]- 168.103001 174.5
[M+Na-2H]- 130.063816 126.9
[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

No literature data available for this compound.

Patent stripe

patents stripe