CID 15444286

3-formyl-1-methyl-1h-indole-2-carbonitrile

Structural Information

Molecular Formula
C11H8N2O
SMILES
CN1C2=CC=CC=C2C(=C1C#N)C=O
InChI
InChI=1S/C11H8N2O/c1-13-10-5-3-2-4-8(10)9(7-14)11(13)6-12/h2-5,7H,1H3
InChIKey
WYXOJBCKVMJHSW-UHFFFAOYSA-N
Compound name
3-formyl-1-methylindole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06366 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.070936 139.7
[M+Na]+ 207.052878 153.5
[M-H]- 183.056384 143.0
[M+NH4]+ 202.097483 159.4
[M+K]+ 223.026818 148.0
[M+H-H2O]+ 167.060920 126.9
[M+HCOO]- 229.061861 160.8
[M+CH3COO]- 243.077511 194.9
[M+Na-2H]- 205.038326 145.5
[M]+ 184.06311142 138.0
[M]- 184.06420858 138.0
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.