CID 22934721

Methyl 1-(hydroxymethyl)cyclopropanecarboxylate

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC(=O)C1(CC1)CO

InChI

InChI=1S/C6H10O3/c1-9-5(8)6(4-7)2-3-6/h7H,2-4H2,1H3

InChIKey

YLNAXTUVFOXHTI-UHFFFAOYSA-N

Compound name

methyl 1-(hydroxymethyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 244
Patents: 130.06299 Da
Monoisotopic Mass: -0.3
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	128.9
[M+Na]+	153.05221	140.1
[M+NH4]+	148.09681	138.3
[M+K]+	169.02615	135.7
[M-H]-	129.05571	135.6
[M+Na-2H]-	151.03766	136.9
[M]+	130.06244	133.4
[M]-	130.06354	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe