CID 176448

3-hydroxy-2,3-dihydro-1h-inden-1-one

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
2
Annotation Hits

3
References

53
Patents

148.05243 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.059706 126.7
[M+Na]+ 171.041648 136.2
[M-H]- 147.045154 130.5
[M+NH4]+ 166.086253 150.6
[M+K]+ 187.015588 133.4
[M+H-H2O]+ 131.049690 122.3
[M+HCOO]- 193.050631 149.7
[M+CH3COO]- 207.066281 171.8
[M+Na-2H]- 169.027096 133.0
[M]+ 148.05188142 125.8
[M]- 148.05297858 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