CID 19149

3576-31-6

Structural Information

Molecular Formula
C17H14O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(CC3=CC=CO3)C(=O)O
InChI
InChI=1S/C17H14O3/c18-17(19)16(11-13-7-4-10-20-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-10,16H,11H2,(H,18,19)
InChIKey
ZTWZOZJHMMPQOI-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-2-naphthalen-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 159.6
[M+Na]+ 289.08352 167.3
[M-H]- 265.08702 166.9
[M+NH4]+ 284.12812 176.4
[M+K]+ 305.05746 164.3
[M+H-H2O]+ 249.09156 152.8
[M+HCOO]- 311.09250 181.3
[M+CH3COO]- 325.10815 172.1
[M+Na-2H]- 287.06897 164.5
[M]+ 266.09375 162.1
[M]- 266.09485 162.1
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

patents stripe