CID 6421117

5584-70-3

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC1(C(O1)C(=O)OC)C

InChI

InChI=1S/C6H10O3/c1-6(2)4(9-6)5(7)8-3/h4H,1-3H3

InChIKey

NAQGOYHXFOHGHQ-UHFFFAOYSA-N

Compound name

methyl 3,3-dimethyloxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 130.06299 Da
Monoisotopic Mass: 0.4
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]+	131.070266	125.3
[M+Na]+	153.052208	136.3
[M-H]-	129.055714	131.7
[M+NH4]+	148.096813	143.7
[M+K]+	169.026148	137.7
[M+H-H2O]+	113.060250	121.2
[M+HCOO]-	175.061191	147.9
[M+CH3COO]-	189.076841	175.2
[M+Na-2H]-	151.037656	133.4
[M]+	130.06244142	132.2
[M]-	130.06353858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe