CID 121273615

4-(but-3-yn-2-yl)morpholine

Structural Information

Molecular Formula
C8H13NO
SMILES
CC(C#C)N1CCOCC1
InChI
InChI=1S/C8H13NO/c1-3-8(2)9-4-6-10-7-5-9/h1,8H,4-7H2,2H3
InChIKey
IPPZQTPGJZCMMK-UHFFFAOYSA-N
Compound name
4-but-3-yn-2-ylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

139.09972 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 125.5
[M+Na]+ 162.088938 133.0
[M-H]- 138.092444 126.0
[M+NH4]+ 157.133543 142.1
[M+K]+ 178.062878 131.8
[M+H-H2O]+ 122.096980 113.2
[M+HCOO]- 184.097921 138.1
[M+CH3COO]- 198.113571 182.2
[M+Na-2H]- 160.074386 130.7
[M]+ 139.09917142 117.1
[M]- 139.10026858 117.1
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