CID 126847567

2703748-85-8

Structural Information

Molecular Formula
C6H9NO
SMILES
C#C[C@@H]1CNC[C@H]1O
InChI
InChI=1S/C6H9NO/c1-2-5-3-7-4-6(5)8/h1,5-8H,3-4H2/t5-,6-/m1/s1
InChIKey
SVELREDANOONPQ-PHDIDXHHSA-N
Compound name
(3S,4R)-4-ethynylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.06841 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 122.7
[M+Na]+ 134.057628 132.0
[M-H]- 110.061134 121.0
[M+NH4]+ 129.102233 142.1
[M+K]+ 150.031568 128.3
[M+H-H2O]+ 94.065670 111.4
[M+HCOO]- 156.066611 136.6
[M+CH3COO]- 170.082261 172.1
[M+Na-2H]- 132.043076 125.9
[M]+ 111.06786142 112.5
[M]- 111.06895858 112.5
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

No patent data available for this compound.