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]+ 189.10224 138.7
[M+Na]+ 211.08418 148.6
[M-H]- 187.08768 142.9
[M+NH4]+ 206.12878 160.1
[M+K]+ 227.05812 145.6
[M+H-H2O]+ 171.09222 132.3
[M+HCOO]- 233.09316 163.9
[M+CH3COO]- 247.10881 186.2
[M+Na-2H]- 209.06963 145.3
[M]+ 188.09441 141.0
[M]- 188.09551 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