CID 22382692

1-(6-aminoindolin-1-yl)propan-1-one

Structural Information

Molecular Formula
C11H14N2O
SMILES
CCC(=O)N1CCC2=C1C=C(C=C2)N
InChI
InChI=1S/C11H14N2O/c1-2-11(14)13-6-5-8-3-4-9(12)7-10(8)13/h3-4,7H,2,5-6,12H2,1H3
InChIKey
SGAIHXQUGMRBEB-UHFFFAOYSA-N
Compound name
1-(6-amino-2,3-dihydroindol-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 141.9
[M+Na]+ 213.09983 152.7
[M+NH4]+ 208.14443 150.3
[M+K]+ 229.07377 148.6
[M-H]- 189.10333 143.7
[M+Na-2H]- 211.08528 146.3
[M]+ 190.11006 143.7
[M]- 190.11116 143.7
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.