CID 10773054

4-(but-3-yn-1-yl)morpholine

Structural Information

Molecular Formula
C8H13NO
SMILES
C#CCCN1CCOCC1
InChI
InChI=1S/C8H13NO/c1-2-3-4-9-5-7-10-8-6-9/h1H,3-8H2
InChIKey
UQHZDUJZHRSWFK-UHFFFAOYSA-N
Compound name
4-but-3-ynylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

139.09972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 124.3
[M+Na]+ 162.088938 132.0
[M-H]- 138.092444 124.7
[M+NH4]+ 157.133543 140.9
[M+K]+ 178.062878 130.4
[M+H-H2O]+ 122.096980 111.8
[M+HCOO]- 184.097921 137.8
[M+CH3COO]- 198.113571 181.4
[M+Na-2H]- 160.074386 130.7
[M]+ 139.09917142 116.5
[M]- 139.10026858 116.5
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