CID 98825

28752-91-2

Structural Information

Molecular Formula
C12H11NO2
SMILES
CN(C)C=C1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C12H11NO2/c1-13(2)7-10-11(14)8-5-3-4-6-9(8)12(10)15/h3-7H,1-2H3
InChIKey
MVUJXFMCAICFMX-UHFFFAOYSA-N
Compound name
2-(dimethylaminomethylidene)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

201.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 141.1
[M+Na]+ 224.06820 150.5
[M-H]- 200.07170 147.6
[M+NH4]+ 219.11280 164.0
[M+K]+ 240.04214 148.0
[M+H-H2O]+ 184.07624 135.7
[M+HCOO]- 246.07718 166.5
[M+CH3COO]- 260.09283 190.7
[M+Na-2H]- 222.05365 145.2
[M]+ 201.07843 142.6
[M]- 201.07953 142.6
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