CID 10773054

14731-39-6

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

141
Patents

139.09972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 124.3
[M+Na]+ 162.08894 132.0
[M-H]- 138.09244 124.7
[M+NH4]+ 157.13354 140.9
[M+K]+ 178.06288 130.4
[M+H-H2O]+ 122.09698 111.8
[M+HCOO]- 184.09792 137.8
[M+CH3COO]- 198.11357 181.4
[M+Na-2H]- 160.07439 130.7
[M]+ 139.09917 116.5
[M]- 139.10027 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