CID 165941621

Tert-butyl 3-cyclopropyl-3-ethynylmorpholine-4-carboxylate

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(C)(C)OC(=O)N1CCOCC1(C#C)C2CC2
InChI
InChI=1S/C14H21NO3/c1-5-14(11-6-7-11)10-17-9-8-15(14)12(16)18-13(2,3)4/h1,11H,6-10H2,2-4H3
InChIKey
QXWIQCMHCYSMBP-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyclopropyl-3-ethynylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 156.0
[M+Na]+ 274.14137 169.5
[M-H]- 250.14487 162.2
[M+NH4]+ 269.18597 168.2
[M+K]+ 290.11531 164.7
[M+H-H2O]+ 234.14941 146.6
[M+HCOO]- 296.15035 168.0
[M+CH3COO]- 310.16600 201.6
[M+Na-2H]- 272.12682 161.2
[M]+ 251.15160 154.8
[M]- 251.15270 154.8
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.