CID 21555042

2,3-dihydro-1h-indene-2,5-diol

Structural Information

Molecular Formula
C9H10O2
SMILES
C1C(CC2=C1C=CC(=C2)O)O
InChI
InChI=1S/C9H10O2/c10-8-2-1-6-3-9(11)5-7(6)4-8/h1-2,4,9-11H,3,5H2
InChIKey
XNXNPJAZZGQZRD-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indene-2,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

150.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 128.5
[M+Na]+ 173.05730 137.3
[M-H]- 149.06080 130.9
[M+NH4]+ 168.10190 151.6
[M+K]+ 189.03124 134.1
[M+H-H2O]+ 133.06534 124.3
[M+HCOO]- 195.06628 149.7
[M+CH3COO]- 209.08193 170.1
[M+Na-2H]- 171.04275 134.3
[M]+ 150.06753 126.5
[M]- 150.06863 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