CID 136614

771-10-8

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCOC(=O)C1C(C1(C)C)(C)C

InChI

InChI=1S/C10H18O2/c1-6-12-8(11)7-9(2,3)10(7,4)5/h7H,6H2,1-5H3

InChIKey

JGWIOJNKGNJJLE-UHFFFAOYSA-N

Compound name

ethyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 170.13068 Da
Monoisotopic Mass: 2.6
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]+	171.13796	136.5
[M+Na]+	193.11990	147.2
[M-H]-	169.12340	142.2
[M+NH4]+	188.16450	156.7
[M+K]+	209.09384	147.2
[M+H-H2O]+	153.12794	133.8
[M+HCOO]-	215.12888	158.2
[M+CH3COO]-	229.14453	185.7
[M+Na-2H]-	191.10535	142.2
[M]+	170.13013	143.6
[M]-	170.13123	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe