CID 87963836

3-ethynylmorpholine hydrochloride

Structural Information

Molecular Formula
C6H9NO
SMILES
C#CC1COCCN1
InChI
InChI=1S/C6H9NO/c1-2-6-5-8-4-3-7-6/h1,6-7H,3-5H2
InChIKey
HHTVRKZYEXOZHN-UHFFFAOYSA-N
Compound name
3-ethynylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

111.06841 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 118.2
[M+Na]+ 134.057628 126.3
[M-H]- 110.061134 117.7
[M+NH4]+ 129.102233 135.2
[M+K]+ 150.031568 124.4
[M+H-H2O]+ 94.065670 106.4
[M+HCOO]- 156.066611 130.9
[M+CH3COO]- 170.082261 173.6
[M+Na-2H]- 132.043076 125.0
[M]+ 111.06786142 108.1
[M]- 111.06895858 108.1
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