CID 3280850

1,5-diacetylindoline

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C
InChI
InChI=1S/C12H13NO2/c1-8(14)10-3-4-12-11(7-10)5-6-13(12)9(2)15/h3-4,7H,5-6H2,1-2H3
InChIKey
DDTZNSOMVMYKHA-UHFFFAOYSA-N
Compound name
1-(1-acetyl-2,3-dihydroindol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

203.09464 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 144.3
[M+Na]+ 226.08386 152.6
[M-H]- 202.08736 147.7
[M+NH4]+ 221.12846 165.1
[M+K]+ 242.05780 150.3
[M+H-H2O]+ 186.09190 138.3
[M+HCOO]- 248.09284 164.6
[M+CH3COO]- 262.10849 186.4
[M+Na-2H]- 224.06931 146.8
[M]+ 203.09409 144.8
[M]- 203.09519 144.8
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