CID 3080106

Hexahydro-4,7-epoxy-1h-indene-3a,7a-dicarboxylic acid, (3a-alpha,4-alpha,7-alpha,7a-alpha)-

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
(1S,2R,6S,7R)-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]+ 227.09140 149.4
[M+Na]+ 249.07334 153.7
[M+NH4]+ 244.11794 159.0
[M+K]+ 265.04728 153.6
[M-H]- 225.07684 147.4
[M+Na-2H]- 247.05879 148.5
[M]+ 226.08357 149.1
[M]- 226.08467 149.1
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.