CID 18366064

275387-76-3

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(C1)(C#C)O

InChI

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

InChIKey

RXCGUGDUIPKXPN-UHFFFAOYSA-N

Compound name

tert-butyl 3-ethynyl-3-hydroxypyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 211.12085 Da
Monoisotopic Mass: 0.5
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	144.3
[M+Na]+	234.11007	152.1
[M+NH4]+	229.15467	148.0
[M+K]+	250.08401	146.0
[M-H]-	210.11357	134.5
[M+Na-2H]-	232.09552	144.9
[M]+	211.12030	141.6
[M]-	211.12140	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe