CID 11229204

797038-32-5

Structural Information

Molecular Formula

C₉H₁₄O₄

SMILES

CC(C)(C)OC(=O)C1COCC1=O

InChI

InChI=1S/C9H14O4/c1-9(2,3)13-8(11)6-4-12-5-7(6)10/h6H,4-5H2,1-3H3

InChIKey

VAYGRVNWVNMUQL-UHFFFAOYSA-N

Compound name

tert-butyl 4-oxooxolane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 186.0892 Da
Monoisotopic Mass: 0.7
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]+	187.09648	139.4
[M+Na]+	209.07842	147.8
[M+NH4]+	204.12302	145.9
[M+K]+	225.05236	147.0
[M-H]-	185.08192	139.5
[M+Na-2H]-	207.06387	141.3
[M]+	186.08865	140.3
[M]-	186.08975	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe