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

49
Patents

214.08412 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09140 144.5
[M+Na]+ 237.07334 152.7
[M-H]- 213.07684 145.8
[M+NH4]+ 232.11794 169.5
[M+K]+ 253.04728 152.0
[M+H-H2O]+ 197.08138 143.5
[M+HCOO]- 259.08232 160.7
[M+CH3COO]- 273.09797 181.6
[M+Na-2H]- 235.05879 148.4
[M]+ 214.08357 145.8
[M]- 214.08467 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe