CID 26386

Brn 1528849

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1=C(NC2=C1C(=O)CCC2)C(=O)C
InChI
InChI=1S/C11H13NO2/c1-6-10-8(4-3-5-9(10)14)12-11(6)7(2)13/h12H,3-5H2,1-2H3
InChIKey
OKZILCKGZMBOBK-UHFFFAOYSA-N
Compound name
2-acetyl-3-methyl-1,5,6,7-tetrahydroindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.2
[M+Na]+ 214.08386 149.7
[M-H]- 190.08736 143.3
[M+NH4]+ 209.12846 162.0
[M+K]+ 230.05780 146.4
[M+H-H2O]+ 174.09190 135.8
[M+HCOO]- 236.09284 159.8
[M+CH3COO]- 250.10849 182.1
[M+Na-2H]- 212.06931 143.3
[M]+ 191.09409 139.1
[M]- 191.09519 139.1
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.