CID 21460082

2-ethynylmorpholine hydrochloride

Structural Information

Molecular Formula
C6H9NO
SMILES
C#CC1CNCCO1
InChI
InChI=1S/C6H9NO/c1-2-6-5-7-3-4-8-6/h1,6-7H,3-5H2
InChIKey
UHWZKSGXBBYDCB-UHFFFAOYSA-N
Compound name
2-ethynylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

111.06841 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 118.2
[M+Na]+ 134.05763 126.3
[M-H]- 110.06113 117.7
[M+NH4]+ 129.10223 135.2
[M+K]+ 150.03157 124.4
[M+H-H2O]+ 94.065670 106.4
[M+HCOO]- 156.06661 130.9
[M+CH3COO]- 170.08226 173.6
[M+Na-2H]- 132.04308 125.0
[M]+ 111.06786 108.1
[M]- 111.06896 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