CID 583096

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

Structural Information

Molecular Formula
C10H10O
SMILES
CC1C(=O)CC2=CC=CC=C12
InChI
InChI=1S/C10H10O/c1-7-9-5-3-2-4-8(9)6-10(7)11/h2-5,7H,6H2,1H3
InChIKey
XVFJKYPFHFHIOV-UHFFFAOYSA-N
Compound name
1-methyl-1,3-dihydroinden-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

146.07317 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.080446 127.6
[M+Na]+ 169.062388 137.2
[M-H]- 145.065894 132.7
[M+NH4]+ 164.106993 152.3
[M+K]+ 185.036328 134.5
[M+H-H2O]+ 129.070430 122.9
[M+HCOO]- 191.071371 151.5
[M+CH3COO]- 205.087021 175.5
[M+Na-2H]- 167.047836 133.7
[M]+ 146.07262142 127.5
[M]- 146.07371858 127.5
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