CID 3065928

109282-27-1

Structural Information

Molecular Formula

C₁₀H₁₄O₅

SMILES

CC12CCC(O1)(C(C2C(=O)O)C(=O)O)C

InChI

InChI=1S/C10H14O5/c1-9-3-4-10(2,15-9)6(8(13)14)5(9)7(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)

InChIKey

LOIACBOKCRBDOQ-UHFFFAOYSA-N

Compound name

1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 214.08412 Da
Monoisotopic Mass: -0.1
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]+	215.091396	144.5
[M+Na]+	237.073338	152.7
[M-H]-	213.076844	145.8
[M+NH4]+	232.117943	169.5
[M+K]+	253.047278	152.0
[M+H-H2O]+	197.081380	143.5
[M+HCOO]-	259.082321	160.7
[M+CH3COO]-	273.097971	181.6
[M+Na-2H]-	235.058786	148.4
[M]+	214.08357142	145.8
[M]-	214.08466858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe