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

16
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 148.9
[M+Na]+ 248.12571 156.2
[M-H]- 224.12921 149.5
[M+NH4]+ 243.17031 162.8
[M+K]+ 264.09965 155.3
[M+H-H2O]+ 208.13375 136.5
[M+HCOO]- 270.13469 159.5
[M+CH3COO]- 284.15034 195.4
[M+Na-2H]- 246.11116 152.0
[M]+ 225.13594 143.4
[M]- 225.13704 143.4
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