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]+ 251.10666 154.5
[M+Na]+ 273.08860 163.5
[M-H]- 249.09210 158.9
[M+NH4]+ 268.13320 173.1
[M+K]+ 289.06254 158.1
[M+H-H2O]+ 233.09664 147.6
[M+HCOO]- 295.09758 175.5
[M+CH3COO]- 309.11323 167.0
[M+Na-2H]- 271.07405 162.7
[M]+ 250.09883 156.5
[M]- 250.09993 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.