CID 86721998

1429421-99-7

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

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

InChI

InChI=1S/C10H18O3/c1-9(2)5-7(8(11)12)6-10(3,4)13-9/h7H,5-6H2,1-4H3,(H,11,12)

InChIKey

UOFVEPKQZXHQSB-UHFFFAOYSA-N

Compound name

2,2,6,6-tetramethyloxane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 186.1256 Da
Monoisotopic Mass: 1.3
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]+	187.13288	138.0
[M+Na]+	209.11482	145.3
[M-H]-	185.11832	141.2
[M+NH4]+	204.15942	160.2
[M+K]+	225.08876	146.0
[M+H-H2O]+	169.12286	135.0
[M+HCOO]-	231.12380	155.4
[M+CH3COO]-	245.13945	180.6
[M+Na-2H]-	207.10027	143.6
[M]+	186.12505	137.4
[M]-	186.12615	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe