CID 139594662

Ns00003691

Structural Information

Molecular Formula
C21H24O5
SMILES
CC1(CC2(CC(C3=CC(=C(C=C32)O)O)(C)CO)C4=CC(=C(C=C41)O)O)C
InChI
InChI=1S/C21H24O5/c1-19(2)8-21(13-6-17(25)15(23)4-11(13)19)9-20(3,10-22)12-5-16(24)18(26)7-14(12)21/h4-7,22-26H,8-10H2,1-3H3
InChIKey
DBBRBWBJKWHNLS-UHFFFAOYSA-N
Compound name
1'-(hydroxymethyl)-1,1,1'-trimethyl-3,3'-spirobi[2H-indene]-5,5',6,6'-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.16238 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.169656 183.1
[M+Na]+ 379.151598 194.7
[M-H]- 355.155104 186.3
[M+NH4]+ 374.196203 205.8
[M+K]+ 395.125538 187.8
[M+H-H2O]+ 339.159640 180.6
[M+HCOO]- 401.160581 196.3
[M+CH3COO]- 415.176231 193.8
[M+Na-2H]- 377.137046 184.9
[M]+ 356.16183142 184.5
[M]- 356.16292858 184.5
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.