CID 386031

(r)-alpha,5-dime-xaa

Structural Information

Molecular Formula
C17H14O4
SMILES
CC1=C2C(=CC=C1)C(=O)C3=C(O2)C(=CC=C3)[C@@H](C)C(=O)O
InChI
InChI=1S/C17H14O4/c1-9-5-3-7-12-14(18)13-8-4-6-11(10(2)17(19)20)16(13)21-15(9)12/h3-8,10H,1-2H3,(H,19,20)/t10-/m1/s1
InChIKey
DNOVMIZRTRQVOD-SNVBAGLBSA-N
Compound name
(2R)-2-(5-methyl-9-oxoxanthen-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.0892 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.096476 160.2
[M+Na]+ 305.078418 170.9
[M-H]- 281.081924 166.2
[M+NH4]+ 300.123023 176.6
[M+K]+ 321.052358 168.1
[M+H-H2O]+ 265.086460 153.4
[M+HCOO]- 327.087401 179.7
[M+CH3COO]- 341.103051 201.4
[M+Na-2H]- 303.063866 166.6
[M]+ 282.08865142 165.3
[M]- 282.08974858 165.3
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.