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: 143
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]+	131.070266	125.2
[M+Na]+	153.052208	135.0
[M-H]-	129.055714	129.1
[M+NH4]+	148.096813	142.1
[M+K]+	169.026148	133.4
[M+H-H2O]+	113.060250	120.1
[M+HCOO]-	175.061191	147.7
[M+CH3COO]-	189.076841	173.1
[M+Na-2H]-	151.037656	130.5
[M]+	130.06244142	129.1
[M]-	130.06353858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe