CID 11040795

Methyl 3-(hydroxymethyl)bicyclo[1.1.0]butane-1-carboxylate

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

COC(=O)C12CC1(C2)CO

InChI

InChI=1S/C7H10O3/c1-10-5(9)7-2-6(7,3-7)4-8/h8H,2-4H2,1H3

InChIKey

YYVRPKGODIGJQH-UHFFFAOYSA-N

Compound name

methyl 3-(hydroxymethyl)bicyclo[1.1.0]butane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.06299 Da
Monoisotopic Mass: -0.4
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]+	143.070266	145.1
[M+Na]+	165.052208	154.1
[M-H]-	141.055714	150.0
[M+NH4]+	160.096813	158.6
[M+K]+	181.026148	154.7
[M+H-H2O]+	125.060250	142.6
[M+HCOO]-	187.061191	162.3
[M+CH3COO]-	201.076841	185.1
[M+Na-2H]-	163.037656	151.3
[M]+	142.06244142	152.2
[M]-	142.06353858	152.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.