CID 101540

Terebic acid

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

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

InChI

InChI=1S/C7H10O4/c1-7(2)4(6(9)10)3-5(8)11-7/h4H,3H2,1-2H3,(H,9,10)

InChIKey

UZBOWOQARWWIER-UHFFFAOYSA-N

Compound name

2,2-dimethyl-5-oxooxolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 279
Patents: 158.0579 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]+	159.065176	127.9
[M+Na]+	181.047118	136.5
[M-H]-	157.050624	131.4
[M+NH4]+	176.091723	150.8
[M+K]+	197.021058	137.2
[M+H-H2O]+	141.055160	124.9
[M+HCOO]-	203.056101	148.7
[M+CH3COO]-	217.071751	172.6
[M+Na-2H]-	179.032566	132.6
[M]+	158.05735142	128.5
[M]-	158.05844858	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe