CID 12815112

4934-99-0

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC(=O)C1CC(C1)O

InChI

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

InChIKey

BYKHAEUVLSBWSU-UHFFFAOYSA-N

Compound name

methyl 3-hydroxycyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 730
Patents: 130.06299 Da
Monoisotopic Mass: 0.0
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	123.1
[M+Na]+	153.052208	129.0
[M-H]-	129.055714	125.6
[M+NH4]+	148.096813	138.1
[M+K]+	169.026148	132.2
[M+H-H2O]+	113.060250	113.6
[M+HCOO]-	175.061191	143.6
[M+CH3COO]-	189.076841	172.6
[M+Na-2H]-	151.037656	127.6
[M]+	130.06244142	131.5
[M]-	130.06353858	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe