CID 86672960

(1s)-2,3-dihydro-1h-indene-1,4-diol

Structural Information

Molecular Formula
C9H10O2
SMILES
C1CC2=C([C@H]1O)C=CC=C2O
InChI
InChI=1S/C9H10O2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,9-11H,4-5H2/t9-/m0/s1
InChIKey
WMHPYZJGUKCADC-VIFPVBQESA-N
Compound name
(1S)-2,3-dihydro-1H-indene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

150.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 128.5
[M+Na]+ 173.05730 140.3
[M+NH4]+ 168.10190 137.9
[M+K]+ 189.03124 136.2
[M-H]- 149.06080 130.1
[M+Na-2H]- 171.04275 133.5
[M]+ 150.06753 130.5
[M]- 150.06863 130.5
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

patents stripe