CID 9543380

3-[(z)-2-carboxyvinyl]-2-naphthoate

Structural Information

Molecular Formula
C14H10O4
SMILES
C1=CC=C2C=C(C(=CC2=C1)/C=C\C(=O)O)C(=O)O
InChI
InChI=1S/C14H10O4/c15-13(16)6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(17)18/h1-8H,(H,15,16)(H,17,18)/b6-5-
InChIKey
BWVRZRDHGKPOON-WAYWQWQTSA-N
Compound name
3-[(Z)-2-carboxyethenyl]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

242.0579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 150.5
[M+Na]+ 265.04712 158.3
[M-H]- 241.05062 152.6
[M+NH4]+ 260.09172 167.5
[M+K]+ 281.02106 154.2
[M+H-H2O]+ 225.05516 144.7
[M+HCOO]- 287.05610 169.7
[M+CH3COO]- 301.07175 188.0
[M+Na-2H]- 263.03257 154.7
[M]+ 242.05735 150.4
[M]- 242.05845 150.4
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