CID 81433

3-ethyl-3-methylglutaric anhydride

Structural Information

Molecular Formula
C8H12O3
SMILES
CCC1(CC(=O)OC(=O)C1)C
InChI
InChI=1S/C8H12O3/c1-3-8(2)4-6(9)11-7(10)5-8/h3-5H2,1-2H3
InChIKey
VSVZSLYJGKSCBI-UHFFFAOYSA-N
Compound name
4-ethyl-4-methyloxane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

156.07864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 128.2
[M+Na]+ 179.06786 136.4
[M-H]- 155.07136 132.8
[M+NH4]+ 174.11246 150.3
[M+K]+ 195.04180 137.1
[M+H-H2O]+ 139.07590 124.2
[M+HCOO]- 201.07684 149.0
[M+CH3COO]- 215.09249 175.5
[M+Na-2H]- 177.05331 135.3
[M]+ 156.07809 128.3
[M]- 156.07919 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe