CID 213960

Brn 1311827

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

CC1CC2C(C(=O)CC(O2)C)C(=O)O1

InChI

InChI=1S/C10H14O4/c1-5-3-7(11)9-8(13-5)4-6(2)14-10(9)12/h5-6,8-9H,3-4H2,1-2H3

InChIKey

ZFIKNWYIHLHKSZ-UHFFFAOYSA-N

Compound name

2,7-dimethyl-2,3,4a,7,8,8a-hexahydropyrano[4,3-b]pyran-4,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.0892 Da
Monoisotopic Mass: 0.7
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]+	199.096476	139.2
[M+Na]+	221.078418	146.9
[M-H]-	197.081924	144.9
[M+NH4]+	216.123023	157.4
[M+K]+	237.052358	147.8
[M+H-H2O]+	181.086460	134.1
[M+HCOO]-	243.087401	155.4
[M+CH3COO]-	257.103051	185.3
[M+Na-2H]-	219.063866	144.6
[M]+	198.08865142	138.4
[M]-	198.08974858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.