CID 36852

Ketone, 2-indolyl methoxymethyl-

Structural Information

Molecular Formula
C11H11NO2
SMILES
COCC(=O)C1=CC2=CC=CC=C2N1
InChI
InChI=1S/C11H11NO2/c1-14-7-11(13)10-6-8-4-2-3-5-9(8)12-10/h2-6,12H,7H2,1H3
InChIKey
ZGDVYWIKWGTMSK-UHFFFAOYSA-N
Compound name
1-(1H-indol-2-yl)-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 138.8
[M+Na]+ 212.06820 148.2
[M-H]- 188.07170 141.2
[M+NH4]+ 207.11280 159.4
[M+K]+ 228.04214 144.9
[M+H-H2O]+ 172.07624 132.6
[M+HCOO]- 234.07718 161.6
[M+CH3COO]- 248.09283 179.7
[M+Na-2H]- 210.05365 145.2
[M]+ 189.07843 141.0
[M]- 189.07953 141.0
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

No patent data available for this compound.