CID 10964534

Methyl 1-hydroxycyclobutane-1-carboxylate

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC(=O)C1(CCC1)O

InChI

InChI=1S/C6H10O3/c1-9-5(7)6(8)3-2-4-6/h8H,2-4H2,1H3

InChIKey

HZFAVQOBNOVEAJ-UHFFFAOYSA-N

Compound name

methyl 1-hydroxycyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
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	125.0
[M+Na]+	153.052208	130.9
[M-H]-	129.055714	127.6
[M+NH4]+	148.096813	141.7
[M+K]+	169.026148	134.1
[M+H-H2O]+	113.060250	116.7
[M+HCOO]-	175.061191	145.5
[M+CH3COO]-	189.076841	171.1
[M+Na-2H]-	151.037656	131.2
[M]+	130.06244142	133.4
[M]-	130.06353858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe