CID 18366071

3-ethynylpyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C6H9NO
SMILES
C#CC1(CCNC1)O
InChI
InChI=1S/C6H9NO/c1-2-6(8)3-4-7-5-6/h1,7-8H,3-5H2
InChIKey
KJKPWDVLQGDNFS-UHFFFAOYSA-N
Compound name
3-ethynylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

111.06841 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 123.7
[M+Na]+ 134.057628 133.3
[M-H]- 110.061134 122.2
[M+NH4]+ 129.102233 144.7
[M+K]+ 150.031568 129.0
[M+H-H2O]+ 94.065670 112.9
[M+HCOO]- 156.066611 137.7
[M+CH3COO]- 170.082261 170.7
[M+Na-2H]- 132.043076 128.5
[M]+ 111.06786142 113.5
[M]- 111.06895858 113.5
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

patents stripe