CID 11137096

2-ethynylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C6H9N
SMILES
C#C[C@@H]1CCCN1
InChI
InChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h1,6-7H,3-5H2/t6-/m1/s1
InChIKey
SODJJQTYBSNLPQ-ZCFIWIBFSA-N
Compound name
(2S)-2-ethynylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

95.0735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 119.1
[M+Na]+ 118.06272 128.0
[M-H]- 94.066224 118.3
[M+NH4]+ 113.10732 139.5
[M+K]+ 134.03666 124.6
[M+H-H2O]+ 78.070760 107.3
[M+HCOO]- 140.07170 134.2
[M+CH3COO]- 154.08735 171.8
[M+Na-2H]- 116.04817 123.4
[M]+ 95.072951 109.0
[M]- 95.074049 109.0
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