CID 28418579

1-(5-amino-2,3-dihydro-1h-indol-1-yl)-2-methoxyethan-1-one

Structural Information

Molecular Formula
C11H14N2O2
SMILES
COCC(=O)N1CCC2=C1C=CC(=C2)N
InChI
InChI=1S/C11H14N2O2/c1-15-7-11(14)13-5-4-8-6-9(12)2-3-10(8)13/h2-3,6H,4-5,7,12H2,1H3
InChIKey
MDFVNMKJYSVPRH-UHFFFAOYSA-N
Compound name
1-(5-amino-2,3-dihydroindol-1-yl)-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 145.0
[M+Na]+ 229.09475 152.8
[M-H]- 205.09825 147.8
[M+NH4]+ 224.13935 165.2
[M+K]+ 245.06869 150.4
[M+H-H2O]+ 189.10279 138.4
[M+HCOO]- 251.10373 166.8
[M+CH3COO]- 265.11938 187.6
[M+Na-2H]- 227.08020 148.6
[M]+ 206.10498 144.7
[M]- 206.10608 144.7
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.