CID 247491

2525-35-1

Structural Information

Molecular Formula
C11H13NO
SMILES
CCC1C2=CC=CC=C2N(C1=O)C
InChI
InChI=1S/C11H13NO/c1-3-8-9-6-4-5-7-10(9)12(2)11(8)13/h4-8H,3H2,1-2H3
InChIKey
DATXIRBYUHELMF-UHFFFAOYSA-N
Compound name
3-ethyl-1-methyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

175.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 136.6
[M+Na]+ 198.08894 146.7
[M-H]- 174.09244 140.4
[M+NH4]+ 193.13354 159.2
[M+K]+ 214.06288 143.7
[M+H-H2O]+ 158.09698 130.9
[M+HCOO]- 220.09792 158.9
[M+CH3COO]- 234.11357 182.3
[M+Na-2H]- 196.07439 141.4
[M]+ 175.09917 137.8
[M]- 175.10027 137.8
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.