CID 10397077

52561-72-5

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC(C)(C)C(=O)OCC1CO1

InChI

InChI=1S/C8H14O3/c1-8(2,3)7(9)11-5-6-4-10-6/h6H,4-5H2,1-3H3

InChIKey

CBLGECFNLBWONR-UHFFFAOYSA-N

Compound name

oxiran-2-ylmethyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 331
Patents: 158.0943 Da
Monoisotopic Mass: 1.2
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]+	159.10158	134.5
[M+Na]+	181.08352	143.5
[M-H]-	157.08702	140.1
[M+NH4]+	176.12812	149.7
[M+K]+	197.05746	144.0
[M+H-H2O]+	141.09156	129.1
[M+HCOO]-	203.09250	155.4
[M+CH3COO]-	217.10815	179.9
[M+Na-2H]-	179.06897	141.7
[M]+	158.09375	140.7
[M]-	158.09485	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe