CID 170457

41034-83-7

Structural Information

Molecular Formula
C17H14O2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCC(=O)O
InChI
InChI=1S/C17H14O2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-8,11H,9-10H2,(H,18,19)
InChIKey
BDGMYCZUEIGHJH-UHFFFAOYSA-N
Compound name
3-anthracen-9-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

162
Patents

250.09938 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.106656 154.5
[M+Na]+ 273.088598 163.5
[M-H]- 249.092104 158.9
[M+NH4]+ 268.133203 173.1
[M+K]+ 289.062538 158.1
[M+H-H2O]+ 233.096640 147.6
[M+HCOO]- 295.097581 175.5
[M+CH3COO]- 309.113231 167.0
[M+Na-2H]- 271.074046 162.7
[M]+ 250.09883142 156.5
[M]- 250.09992858 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe