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

12
Patents

111.06841 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 123.7
[M+Na]+ 134.05763 133.3
[M-H]- 110.06113 122.2
[M+NH4]+ 129.10223 144.7
[M+K]+ 150.03157 129.0
[M+H-H2O]+ 94.065670 112.9
[M+HCOO]- 156.06661 137.7
[M+CH3COO]- 170.08226 170.7
[M+Na-2H]- 132.04308 128.5
[M]+ 111.06786 113.5
[M]- 111.06896 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