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]+ 112.07569 123.1
[M+Na]+ 134.05763 132.6
[M+NH4]+ 129.10223 127.6
[M+K]+ 150.03157 126.4
[M-H]- 110.06113 114.9
[M+Na-2H]- 132.04308 124.0
[M]+ 111.06786 121.0
[M]- 111.06896 121.0
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

No patent data available for this compound.