CID 154814450

Tert-butyl 3-ethenyl-3-ethynylmorpholine-4-carboxylate

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(C)(C)OC(=O)N1CCOCC1(C=C)C#C
InChI
InChI=1S/C13H19NO3/c1-6-13(7-2)10-16-9-8-14(13)11(15)17-12(3,4)5/h1,7H,2,8-10H2,3-5H3
InChIKey
UZPAXXQVACHSPW-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethenyl-3-ethynylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 152.1
[M+Na]+ 260.125708 160.4
[M-H]- 236.129214 153.1
[M+NH4]+ 255.170313 167.4
[M+K]+ 276.099648 158.4
[M+H-H2O]+ 220.133750 140.7
[M+HCOO]- 282.134691 162.6
[M+CH3COO]- 296.150341 197.0
[M+Na-2H]- 258.111156 156.0
[M]+ 237.13594142 146.7
[M]- 237.13703858 146.7
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

No patent data available for this compound.