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]+ 283.09648 160.2
[M+Na]+ 305.07842 170.9
[M-H]- 281.08192 166.2
[M+NH4]+ 300.12302 176.6
[M+K]+ 321.05236 168.1
[M+H-H2O]+ 265.08646 153.4
[M+HCOO]- 327.08740 179.7
[M+CH3COO]- 341.10305 201.4
[M+Na-2H]- 303.06387 166.6
[M]+ 282.08865 165.3
[M]- 282.08975 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.