CID 136453

630-51-3

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CC(C)(C(=O)O)C(C)(C)C(=O)O

InChI

InChI=1S/C8H14O4/c1-7(2,5(9)10)8(3,4)6(11)12/h1-4H3,(H,9,10)(H,11,12)

InChIKey

CDPPYCZVWYZBJH-UHFFFAOYSA-N

Compound name

2,2,3,3-tetramethylbutanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2420
Patents: 174.0892 Da
Monoisotopic Mass: 1.1
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]+	175.09648	137.5
[M+Na]+	197.07842	144.5
[M+NH4]+	192.12302	142.3
[M+K]+	213.05236	143.8
[M-H]-	173.08192	132.7
[M+Na-2H]-	195.06387	138.0
[M]+	174.08865	136.7
[M]-	174.08975	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe