CID 40226

Brn 1530412

Structural Information

Molecular Formula
C11H11NO2
SMILES
CN1C2=CC=CC=C2C=C1C(=O)CO
InChI
InChI=1S/C11H11NO2/c1-12-9-5-3-2-4-8(9)6-10(12)11(14)7-13/h2-6,13H,7H2,1H3
InChIKey
DFNBEKKRXUBVHS-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(1-methylindol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 138.4
[M+Na]+ 212.068198 148.7
[M-H]- 188.071704 141.2
[M+NH4]+ 207.112803 159.4
[M+K]+ 228.042138 145.4
[M+H-H2O]+ 172.076240 132.6
[M+HCOO]- 234.077181 161.3
[M+CH3COO]- 248.092831 180.8
[M+Na-2H]- 210.053646 144.1
[M]+ 189.07843142 141.0
[M]- 189.07952858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.