CID 15234

Trimethylacetic anhydride

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

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

InChI

InChI=1S/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3

InChIKey

PGZVFRAEAAXREB-UHFFFAOYSA-N

Compound name

2,2-dimethylpropanoyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 20
References: 6999
Patents: 186.1256 Da
Monoisotopic Mass: 2.7
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	140.8
[M+Na]+	209.11482	147.8
[M-H]-	185.11832	141.5
[M+NH4]+	204.15942	161.3
[M+K]+	225.08876	148.7
[M+H-H2O]+	169.12286	137.4
[M+HCOO]-	231.12380	159.6
[M+CH3COO]-	245.13945	183.0
[M+Na-2H]-	207.10027	145.4
[M]+	186.12505	144.1
[M]-	186.12615	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe