CID 4308221

1-(2-methyl-2,3-dihydro-1h-indol-1-yl)ethan-1-one

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1CC2=CC=CC=C2N1C(=O)C
InChI
InChI=1S/C11H13NO/c1-8-7-10-5-3-4-6-11(10)12(8)9(2)13/h3-6,8H,7H2,1-2H3
InChIKey
XIKHMUMEEURMLM-UHFFFAOYSA-N
Compound name
1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

58
Patents

175.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 137.6
[M+Na]+ 198.088938 146.5
[M-H]- 174.092444 141.1
[M+NH4]+ 193.133543 159.9
[M+K]+ 214.062878 144.0
[M+H-H2O]+ 158.096980 131.8
[M+HCOO]- 220.097921 158.9
[M+CH3COO]- 234.113571 181.3
[M+Na-2H]- 196.074386 141.8
[M]+ 175.09917142 137.7
[M]- 175.10026858 137.7
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