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

37
Patents

109.08915 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 123.0
[M+Na]+ 132.07837 131.6
[M-H]- 108.08187 122.1
[M+NH4]+ 127.12297 142.9
[M+K]+ 148.05231 127.9
[M+H-H2O]+ 92.086410 111.1
[M+HCOO]- 154.08735 137.9
[M+CH3COO]- 168.10300 174.5
[M+Na-2H]- 130.06382 126.9
[M]+ 109.08860 113.2
[M]- 109.08970 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