CID 176448

3-hydroxy-1-indanone

Structural Information

Molecular Formula
C9H8O2
SMILES
C1C(C2=CC=CC=C2C1=O)O
InChI
InChI=1S/C9H8O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8,10H,5H2
InChIKey
UOBZGMJWBBQSLX-UHFFFAOYSA-N
Compound name
3-hydroxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

42
Patents

148.05243 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05971 127.6
[M+Na]+ 171.04165 140.0
[M+NH4]+ 166.08625 137.1
[M+K]+ 187.01559 135.5
[M-H]- 147.04515 129.5
[M+Na-2H]- 169.02710 133.1
[M]+ 148.05188 129.8
[M]- 148.05298 129.8
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