CID 91227198

2377036-25-2

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC1(CC(O1)C(=O)O)C

InChI

InChI=1S/C6H10O3/c1-6(2)3-4(9-6)5(7)8/h4H,3H2,1-2H3,(H,7,8)

InChIKey

BHRBSZPQHIDCSW-UHFFFAOYSA-N

Compound name

4,4-dimethyloxetane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 130.06299 Da
Monoisotopic Mass: 0.5
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	122.4
[M+Na]+	153.052208	129.1
[M-H]-	129.055714	125.9
[M+NH4]+	148.096813	138.1
[M+K]+	169.026148	133.3
[M+H-H2O]+	113.060250	114.4
[M+HCOO]-	175.061191	142.0
[M+CH3COO]-	189.076841	172.8
[M+Na-2H]-	151.037656	129.2
[M]+	130.06244142	131.8
[M]-	130.06353858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe