CID 73357703

3-ethynylpyrrolidine

Structural Information

Molecular Formula
C6H9N
SMILES
C#CC1CCNC1
InChI
InChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h1,6-7H,3-5H2
InChIKey
HIUIQKBMXNDIOB-UHFFFAOYSA-N
Compound name
3-ethynylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

95.0735 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 119.1
[M+Na]+ 118.062718 128.0
[M-H]- 94.066224 118.3
[M+NH4]+ 113.107323 139.5
[M+K]+ 134.036658 124.6
[M+H-H2O]+ 78.070760 107.3
[M+HCOO]- 140.071701 134.2
[M+CH3COO]- 154.087351 171.8
[M+Na-2H]- 116.048166 123.4
[M]+ 95.07295142 109.0
[M]- 95.07404858 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