CID 248078

7-hydroxy-1-indanone

Structural Information

Molecular Formula
C9H8O2
SMILES
C1CC(=O)C2=C1C=CC=C2O
InChI
InChI=1S/C9H8O2/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3,10H,4-5H2
InChIKey
HFMZPBSZKCDKOR-UHFFFAOYSA-N
Compound name
7-hydroxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

276
Patents

148.05243 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05971 126.7
[M+Na]+ 171.04165 136.2
[M-H]- 147.04515 130.5
[M+NH4]+ 166.08625 150.6
[M+K]+ 187.01559 133.4
[M+H-H2O]+ 131.04969 122.3
[M+HCOO]- 193.05063 149.7
[M+CH3COO]- 207.06628 171.8
[M+Na-2H]- 169.02710 133.0
[M]+ 148.05188 125.8
[M]- 148.05298 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe