CID 65682189

2-cyclopropyl-2-methoxyacetic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC(C1CC1)C(=O)O

InChI

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

InChIKey

ISDDZOLMHDDAKN-UHFFFAOYSA-N

Compound name

2-cyclopropyl-2-methoxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 130.06299 Da
Monoisotopic Mass: 0.5
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	127.1
[M+Na]+	153.05221	137.7
[M+NH4]+	148.09681	135.0
[M+K]+	169.02615	135.7
[M-H]-	129.05571	133.4
[M+Na-2H]-	151.03766	133.3
[M]+	130.06244	131.2
[M]-	130.06354	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe