CID 15778462

Propargyl-peg1-t-butyl ester

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: 75
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]+	185.11722	141.1
[M+Na]+	207.09916	149.8
[M-H]-	183.10266	140.9
[M+NH4]+	202.14376	159.2
[M+K]+	223.07310	149.1
[M+H-H2O]+	167.10720	130.7
[M+HCOO]-	229.10814	156.9
[M+CH3COO]-	243.12379	190.4
[M+Na-2H]-	205.08461	145.2
[M]+	184.10939	140.1
[M]-	184.11049	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe