CID 23277

3-formyl-5-dimethylamino indole

Structural Information

Molecular Formula
C11H12N2O
SMILES
CN(C)C1=CC2=C(C=C1)NC=C2C=O
InChI
InChI=1S/C11H12N2O/c1-13(2)9-3-4-11-10(5-9)8(7-14)6-12-11/h3-7,12H,1-2H3
InChIKey
ZBXFRJNUAWOOCU-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.09496 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 138.7
[M+Na]+ 211.084178 148.6
[M-H]- 187.087684 142.9
[M+NH4]+ 206.128783 160.1
[M+K]+ 227.058118 145.6
[M+H-H2O]+ 171.092220 132.3
[M+HCOO]- 233.093161 163.9
[M+CH3COO]- 247.108811 186.2
[M+Na-2H]- 209.069626 145.3
[M]+ 188.09441142 141.0
[M]- 188.09550858 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

patents stripe