CID 205501

18112-46-4

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC(C(=O)C1=CNC2=CC=CC=C21)O
InChI
InChI=1S/C11H11NO2/c1-7(13)11(14)9-6-12-10-5-3-2-4-8(9)10/h2-7,12-13H,1H3
InChIKey
NMKWQEPJWHWJLU-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(1H-indol-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 139.6
[M+Na]+ 212.06820 148.3
[M-H]- 188.07170 140.8
[M+NH4]+ 207.11280 159.5
[M+K]+ 228.04214 144.6
[M+H-H2O]+ 172.07624 133.9
[M+HCOO]- 234.07718 159.9
[M+CH3COO]- 248.09283 178.0
[M+Na-2H]- 210.05365 144.3
[M]+ 189.07843 139.3
[M]- 189.07953 139.3
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.