CID 285754

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

Structural Information

Molecular Formula
C11H11NO
SMILES
CC1=C(C2=CC=CC=C2N1)C(=O)C
InChI
InChI=1S/C11H11NO/c1-7-11(8(2)13)9-5-3-4-6-10(9)12-7/h3-6,12H,1-2H3
InChIKey
VFPVFOXCCXHMCF-UHFFFAOYSA-N
Compound name
1-(2-methyl-1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

173.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 135.2
[M+Na]+ 196.07328 145.6
[M-H]- 172.07678 138.0
[M+NH4]+ 191.11788 156.9
[M+K]+ 212.04722 141.8
[M+H-H2O]+ 156.08132 129.6
[M+HCOO]- 218.08226 157.9
[M+CH3COO]- 232.09791 178.8
[M+Na-2H]- 194.05873 140.9
[M]+ 173.08351 136.4
[M]- 173.08461 136.4
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