CID 44152522

Brn 5346615

Structural Information

Molecular Formula
C16H16O5
SMILES
C[C@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(=O)O
InChI
InChI=1S/C16H16O5/c1-10(16(19)21-9-15(17)18)11-3-4-13-8-14(20-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKey
AFKOPSOLFOZNHU-SNVBAGLBSA-N
Compound name
2-[(2R)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09976 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 163.5
[M+Na]+ 311.08898 170.0
[M-H]- 287.09248 166.6
[M+NH4]+ 306.13358 179.2
[M+K]+ 327.06292 168.3
[M+H-H2O]+ 271.09702 156.8
[M+HCOO]- 333.09796 182.5
[M+CH3COO]- 347.11361 200.3
[M+Na-2H]- 309.07443 166.0
[M]+ 288.09921 167.5
[M]- 288.10031 167.5
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.