CID 384712

Nsc674948

Structural Information

Molecular Formula
C20H20O2
SMILES
C1CC2=CC3=C(CC(C3)CC4=CC=CC=C4C(=O)O)C=C2C1
InChI
InChI=1S/C20H20O2/c21-20(22)19-7-2-1-4-16(19)8-13-9-17-11-14-5-3-6-15(14)12-18(17)10-13/h1-2,4,7,11-13H,3,5-6,8-10H2,(H,21,22)
InChIKey
OEYOMJBEZBBMOK-UHFFFAOYSA-N
Compound name
2-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.14633 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15361 170.4
[M+Na]+ 315.13555 177.0
[M-H]- 291.13905 177.6
[M+NH4]+ 310.18015 190.6
[M+K]+ 331.10949 171.2
[M+H-H2O]+ 275.14359 164.4
[M+HCOO]- 337.14453 189.0
[M+CH3COO]- 351.16018 181.6
[M+Na-2H]- 313.12100 169.9
[M]+ 292.14578 168.7
[M]- 292.14688 168.7
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.