CID 13801205

112157-00-3

Structural Information

Molecular Formula
C10H8O2
SMILES
C1CC(=O)C2=CC=CC(=C21)C=O
InChI
InChI=1S/C10H8O2/c11-6-7-2-1-3-9-8(7)4-5-10(9)12/h1-3,6H,4-5H2
InChIKey
KOPDNBCMBVQISP-UHFFFAOYSA-N
Compound name
1-oxo-2,3-dihydroindene-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.05243 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 129.5
[M+Na]+ 183.04165 139.3
[M-H]- 159.04515 134.6
[M+NH4]+ 178.08625 153.6
[M+K]+ 199.01559 136.6
[M+H-H2O]+ 143.04969 124.8
[M+HCOO]- 205.05063 153.9
[M+CH3COO]- 219.06628 176.6
[M+Na-2H]- 181.02710 135.7
[M]+ 160.05188 130.2
[M]- 160.05298 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.