CID 441318

2-formyl-1-indanone

Structural Information

Molecular Formula
C10H8O2
SMILES
C1C(C(=O)C2=CC=CC=C21)C=O
InChI
InChI=1S/C10H8O2/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,6,8H,5H2
InChIKey
NWROWRUAPHQSLF-UHFFFAOYSA-N
Compound name
3-oxo-1,2-dihydroindene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

160.05243 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.059706 129.5
[M+Na]+ 183.041648 139.3
[M-H]- 159.045154 134.6
[M+NH4]+ 178.086253 153.6
[M+K]+ 199.015588 136.6
[M+H-H2O]+ 143.049690 124.8
[M+HCOO]- 205.050631 153.9
[M+CH3COO]- 219.066281 176.6
[M+Na-2H]- 181.027096 135.7
[M]+ 160.05188142 130.2
[M]- 160.05297858 130.2
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