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

479
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 124.7
[M+Na]+ 132.07837 135.1
[M+NH4]+ 127.12297 130.2
[M+K]+ 148.05231 127.4
[M-H]- 108.08187 117.9
[M+Na-2H]- 130.06382 127.0
[M]+ 109.08860 123.3
[M]- 109.08970 123.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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