CID 123297986

1823258-79-2

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)CC#C
InChI
InChI=1S/C12H19NO3/c1-5-6-10-9-13(7-8-15-10)11(14)16-12(2,3)4/h1,10H,6-9H2,2-4H3
InChIKey
COCRLKAZOXBNCU-UHFFFAOYSA-N
Compound name
tert-butyl 2-prop-2-ynylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

225.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 151.9
[M+Na]+ 248.12571 161.1
[M+NH4]+ 243.17031 154.7
[M+K]+ 264.09965 154.3
[M-H]- 224.12921 144.4
[M+Na-2H]- 246.11116 151.5
[M]+ 225.13594 150.1
[M]- 225.13704 150.1
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