CID 135416860

2-[(methylamino)methylene]-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C11H9NO2
SMILES
CN=CC1=C(C2=CC=CC=C2C1=O)O
InChI
InChI=1S/C11H9NO2/c1-12-6-9-10(13)7-4-2-3-5-8(7)11(9)14/h2-6,13H,1H3
InChIKey
BCXATVHLOPBFLK-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(methyliminomethyl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

187.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 136.3
[M+Na]+ 210.05254 146.8
[M-H]- 186.05604 141.9
[M+NH4]+ 205.09714 159.3
[M+K]+ 226.02648 143.5
[M+H-H2O]+ 170.06058 131.1
[M+HCOO]- 232.06152 162.8
[M+CH3COO]- 246.07717 184.7
[M+Na-2H]- 208.03799 142.7
[M]+ 187.06277 138.4
[M]- 187.06387 138.4
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