CID 18366143

1087043-97-7

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC1(N(C(CO1)C#C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C12H19NO3/c1-7-9-8-15-12(5,6)13(9)10(14)16-11(2,3)4/h1,9H,8H2,2-6H3

InChIKey

DPZQSYOKTUMHNY-UHFFFAOYSA-N

Compound name

tert-butyl 4-ethynyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 67
Patents: 225.13649 Da
Monoisotopic Mass: 1.6
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]+	226.143766	147.5
[M+Na]+	248.125708	157.5
[M-H]-	224.129214	149.1
[M+NH4]+	243.170313	165.3
[M+K]+	264.099648	156.2
[M+H-H2O]+	208.133750	136.9
[M+HCOO]-	270.134691	160.1
[M+CH3COO]-	284.150341	195.8
[M+Na-2H]-	246.111156	150.4
[M]+	225.13594142	144.6
[M]-	225.13703858	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe