CID 22934721

88157-42-0

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: 260
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]+	131.070266	126.7
[M+Na]+	153.052208	136.3
[M-H]-	129.055714	130.6
[M+NH4]+	148.096813	145.2
[M+K]+	169.026148	135.7
[M+H-H2O]+	113.060250	122.7
[M+HCOO]-	175.061191	148.9
[M+CH3COO]-	189.076841	171.6
[M+Na-2H]-	151.037656	133.7
[M]+	130.06244142	130.7
[M]-	130.06353858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe