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]+ 289.107036 163.5
[M+Na]+ 311.088978 170.0
[M-H]- 287.092484 166.6
[M+NH4]+ 306.133583 179.2
[M+K]+ 327.062918 168.3
[M+H-H2O]+ 271.097020 156.8
[M+HCOO]- 333.097961 182.5
[M+CH3COO]- 347.113611 200.3
[M+Na-2H]- 309.074426 166.0
[M]+ 288.09921142 167.5
[M]- 288.10030858 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.