CID 15778462

488150-84-1

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

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

InChI

InChI=1S/C10H16O3/c1-5-7-12-8-6-9(11)13-10(2,3)4/h1H,6-8H2,2-4H3

InChIKey

VDHVLESCKRSEAF-UHFFFAOYSA-N

Compound name

tert-butyl 3-prop-2-ynoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 184.10994 Da
Monoisotopic Mass: 1.0
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]+	185.117216	141.1
[M+Na]+	207.099158	149.8
[M-H]-	183.102664	140.9
[M+NH4]+	202.143763	159.2
[M+K]+	223.073098	149.1
[M+H-H2O]+	167.107200	130.7
[M+HCOO]-	229.108141	156.9
[M+CH3COO]-	243.123791	190.4
[M+Na-2H]-	205.084606	145.2
[M]+	184.10939142	140.1
[M]-	184.11048858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe