CID 22342791

833474-07-0

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CCOCC1C#C

InChI

InChI=1S/C11H17NO3/c1-5-9-8-14-7-6-12(9)10(13)15-11(2,3)4/h1,9H,6-8H2,2-4H3

InChIKey

UCNLYXLRSYTFSG-UHFFFAOYSA-N

Compound name

tert-butyl 3-ethynylmorpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 211.12085 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.12813	147.9
[M+Na]+	234.11007	157.3
[M+NH4]+	229.15467	150.8
[M+K]+	250.08401	150.7
[M-H]-	210.11357	140.5
[M+Na-2H]-	232.09552	147.8
[M]+	211.12030	146.1
[M]-	211.12140	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe