CID 15140871

5-methyl-2,3-dihydro-1h-indene-1,3-dione

Structural Information

Molecular Formula
C10H8O2
SMILES
CC1=CC2=C(C=C1)C(=O)CC2=O
InChI
InChI=1S/C10H8O2/c1-6-2-3-7-8(4-6)10(12)5-9(7)11/h2-4H,5H2,1H3
InChIKey
OOGJCWRSXJSCJR-UHFFFAOYSA-N
Compound name
5-methylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

160.05243 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 128.7
[M+Na]+ 183.04165 139.5
[M-H]- 159.04515 134.3
[M+NH4]+ 178.08625 153.1
[M+K]+ 199.01559 136.7
[M+H-H2O]+ 143.04969 124.3
[M+HCOO]- 205.05063 153.1
[M+CH3COO]- 219.06628 177.8
[M+Na-2H]- 181.02710 134.3
[M]+ 160.05188 129.8
[M]- 160.05298 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

No literature data available for this compound.

Patent stripe

patents stripe