CID 95473

3647-33-4

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CCC1(C(O1)C(=O)OCC)C

InChI

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

InChIKey

JOZYMCPJDYLLDD-UHFFFAOYSA-N

Compound name

ethyl 3-ethyl-3-methyloxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 23
Patents: 158.0943 Da
Monoisotopic Mass: 1.3
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]+	159.101576	134.0
[M+Na]+	181.083518	144.2
[M-H]-	157.087024	140.0
[M+NH4]+	176.128123	151.3
[M+K]+	197.057458	145.1
[M+H-H2O]+	141.091560	129.5
[M+HCOO]-	203.092501	156.0
[M+CH3COO]-	217.108151	180.9
[M+Na-2H]-	179.068966	141.0
[M]+	158.09375142	141.6
[M]-	158.09484858	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe