CID 119849

28998-48-3

Structural Information

Molecular Formula
C16H20O3
SMILES
C1CCC(CC1)C2=C(C=C3C(CCC3=C2)C(=O)O)O
InChI
InChI=1S/C16H20O3/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12,17H,1-7H2,(H,18,19)
InChIKey
WSKCLYSPBODMHR-UHFFFAOYSA-N
Compound name
5-cyclohexyl-6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.14124 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14852 160.3
[M+Na]+ 283.13046 164.9
[M-H]- 259.13396 164.4
[M+NH4]+ 278.17506 178.2
[M+K]+ 299.10440 160.6
[M+H-H2O]+ 243.13850 154.3
[M+HCOO]- 305.13944 175.5
[M+CH3COO]- 319.15509 191.7
[M+Na-2H]- 281.11591 159.7
[M]+ 260.14069 154.3
[M]- 260.14179 154.3
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