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]+ 226.143766 148.9
[M+Na]+ 248.125708 156.2
[M-H]- 224.129214 149.5
[M+NH4]+ 243.170313 162.8
[M+K]+ 264.099648 155.3
[M+H-H2O]+ 208.133750 136.5
[M+HCOO]- 270.134691 159.5
[M+CH3COO]- 284.150341 195.4
[M+Na-2H]- 246.111156 152.0
[M]+ 225.13594142 143.4
[M]- 225.13703858 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