CID 13284402

2-(1h-indol-3-yl)-2-oxoacetaldehyde

Structural Information

Molecular Formula
C10H7NO2
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)C=O
InChI
InChI=1S/C10H7NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-6,11H
InChIKey
KPDBTUMJILFRNQ-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-2-oxoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

162
Patents

173.04768 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.054956 132.9
[M+Na]+ 196.036898 143.1
[M-H]- 172.040404 135.6
[M+NH4]+ 191.081503 154.1
[M+K]+ 212.010838 139.4
[M+H-H2O]+ 156.044940 127.1
[M+HCOO]- 218.045881 156.3
[M+CH3COO]- 232.061531 175.8
[M+Na-2H]- 194.022346 139.9
[M]+ 173.04713142 134.1
[M]- 173.04822858 134.1
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