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

20
Patents

150.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.075356 128.5
[M+Na]+ 173.057298 137.3
[M-H]- 149.060804 130.9
[M+NH4]+ 168.101903 151.6
[M+K]+ 189.031238 134.1
[M+H-H2O]+ 133.065340 124.3
[M+HCOO]- 195.066281 149.7
[M+CH3COO]- 209.081931 170.1
[M+Na-2H]- 171.042746 134.3
[M]+ 150.06753142 126.5
[M]- 150.06862858 126.5
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