CID 258564

1-acetyl-6-aminoindoline

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC(=O)N1CCC2=C1C=C(C=C2)N
InChI
InChI=1S/C10H12N2O/c1-7(13)12-5-4-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5,11H2,1H3
InChIKey
LOZKZWIQDVEDCQ-UHFFFAOYSA-N
Compound name
1-(6-amino-2,3-dihydroindol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

349
Patents

176.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.102236 137.4
[M+Na]+ 199.084178 145.9
[M-H]- 175.087684 140.5
[M+NH4]+ 194.128783 159.0
[M+K]+ 215.058118 143.2
[M+H-H2O]+ 159.092220 131.3
[M+HCOO]- 221.093161 159.5
[M+CH3COO]- 235.108811 182.4
[M+Na-2H]- 197.069626 141.6
[M]+ 176.09441142 135.4
[M]- 176.09550858 135.4
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