CID 165750266

2751615-59-3

Structural Information

Molecular Formula
C13H21NO3
SMILES
CCC1(COCCN1C(=O)OC(C)(C)C)C#C
InChI
InChI=1S/C13H21NO3/c1-6-13(7-2)10-16-9-8-14(13)11(15)17-12(3,4)5/h1H,7-10H2,2-5H3
InChIKey
LFIWCFUISCHKAR-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethyl-3-ethynylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 152.3
[M+Na]+ 262.14137 160.3
[M-H]- 238.14487 153.3
[M+NH4]+ 257.18597 167.6
[M+K]+ 278.11531 158.9
[M+H-H2O]+ 222.14941 140.8
[M+HCOO]- 284.15035 162.7
[M+CH3COO]- 298.16600 197.7
[M+Na-2H]- 260.12682 156.2
[M]+ 239.15160 147.5
[M]- 239.15270 147.5
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.