CID 54050780

Schembl8489332

Structural Information

Molecular Formula

C₁₁H₁₈O₃

SMILES

CC1CC1C(=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C11H18O3/c1-7-5-8(7)9(12)6-10(13)14-11(2,3)4/h7-8H,5-6H2,1-4H3

InChIKey

LSSFSWPYCNKQPJ-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-methylcyclopropyl)-3-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 198.1256 Da
Monoisotopic Mass: 1.8
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]+	199.13288	146.2
[M+Na]+	221.11482	156.6
[M+NH4]+	216.15942	153.3
[M+K]+	237.08876	154.5
[M-H]-	197.11832	152.1
[M+Na-2H]-	219.10027	151.4
[M]+	198.12505	150.3
[M]-	198.12615	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe