CID 66545176

Ethyl 1-methanesulfonylcyclopropane-1-carboxylate

Structural Information

Molecular Formula

C₇H₁₂O₄S

SMILES

CCOC(=O)C1(CC1)S(=O)(=O)C

InChI

InChI=1S/C7H12O4S/c1-3-11-6(8)7(4-5-7)12(2,9)10/h3-5H2,1-2H3

InChIKey

NRIOFWFQSUUNDR-UHFFFAOYSA-N

Compound name

ethyl 1-methylsulfonylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 192.04562 Da
Monoisotopic Mass: 0.2
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]+	193.05290	138.6
[M+Na]+	215.03484	148.1
[M-H]-	191.03834	143.5
[M+NH4]+	210.07944	155.5
[M+K]+	231.00878	147.0
[M+H-H2O]+	175.04288	134.4
[M+HCOO]-	237.04382	155.5
[M+CH3COO]-	251.05947	181.3
[M+Na-2H]-	213.02029	143.5
[M]+	192.04507	146.3
[M]-	192.04617	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe