CID 39872362

60212-41-1

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CCO[C@@H]1C[C@H]1C(=O)O

InChI

InChI=1S/C6H10O3/c1-2-9-5-3-4(5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5-/m1/s1

InChIKey

NXCVRYFUTLMBAE-RFZPGFLSSA-N

Compound name

(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 130.06299 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]+	131.07027	125.0
[M+Na]+	153.05221	134.7
[M-H]-	129.05571	128.8
[M+NH4]+	148.09681	141.7
[M+K]+	169.02615	133.1
[M+H-H2O]+	113.06025	119.8
[M+HCOO]-	175.06119	147.5
[M+CH3COO]-	189.07684	173.7
[M+Na-2H]-	151.03766	130.3
[M]+	130.06244	129.0
[M]-	130.06354	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe