CID 535038

Methyl 2-(hydroxymethyl)cyclopropane-1-carboxylate

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC(=O)C1CC1CO

InChI

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

InChIKey

QMFFTUAKXYCOKM-UHFFFAOYSA-N

Compound name

methyl 2-(hydroxymethyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
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	125.2
[M+Na]+	153.05221	135.0
[M-H]-	129.05571	129.1
[M+NH4]+	148.09681	142.1
[M+K]+	169.02615	133.4
[M+H-H2O]+	113.06025	120.1
[M+HCOO]-	175.06119	147.7
[M+CH3COO]-	189.07684	173.1
[M+Na-2H]-	151.03766	130.5
[M]+	130.06244	129.1
[M]-	130.06354	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe