CID 23815256

Compound np-000958

Structural Information

Molecular Formula
C15H22O5
SMILES
C/C(=C\1/CCC23C1CCC(C(C2)OC3)(C(=O)O)O)/CO
InChI
InChI=1S/C15H22O5/c1-9(7-16)10-2-4-14-6-12(20-8-14)15(19,13(17)18)5-3-11(10)14/h11-12,16,19H,2-8H2,1H3,(H,17,18)/b10-9+
InChIKey
QYINOGPWFQBOJX-MDZDMXLPSA-N
Compound name
(4E)-8-hydroxy-4-(1-hydroxypropan-2-ylidene)-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

282.14673 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.154006 166.3
[M+Na]+ 305.135948 169.7
[M-H]- 281.139454 168.1
[M+NH4]+ 300.180553 186.6
[M+K]+ 321.109888 168.6
[M+H-H2O]+ 265.143990 163.9
[M+HCOO]- 327.144931 176.1
[M+CH3COO]- 341.160581 193.3
[M+Na-2H]- 303.121396 166.6
[M]+ 282.14618142 160.2
[M]- 282.14727858 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.