CID 3080106

127311-85-7

Structural Information

Molecular Formula
C11H14O5
SMILES
C1C[C@]2([C@H]3CC[C@@H]([C@]2(C1)C(=O)O)O3)C(=O)O
InChI
InChI=1S/C11H14O5/c12-8(13)10-4-1-5-11(10,9(14)15)7-3-2-6(10)16-7/h6-7H,1-5H2,(H,12,13)(H,14,15)/t6-,7+,10+,11-
InChIKey
WUCUREOFJYRSMJ-FIPCFZRWSA-N
Compound name
(1R,2S,6R,7S)-10-oxatricyclo[5.2.1.02,6]decane-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.08412 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.091396 151.4
[M+Na]+ 249.073338 158.3
[M-H]- 225.076844 153.2
[M+NH4]+ 244.117943 177.9
[M+K]+ 265.047278 156.9
[M+H-H2O]+ 209.081380 150.5
[M+HCOO]- 271.082321 166.2
[M+CH3COO]- 285.097971 182.3
[M+Na-2H]- 247.058786 154.2
[M]+ 226.08357142 150.8
[M]- 226.08466858 150.8
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

No patent data available for this compound.