CID 10749660

3-formyl-1h-indole-6-carbonitrile

Structural Information

Molecular Formula
C10H6N2O
SMILES
C1=CC2=C(C=C1C#N)NC=C2C=O
InChI
InChI=1S/C10H6N2O/c11-4-7-1-2-9-8(6-13)5-12-10(9)3-7/h1-3,5-6,12H
InChIKey
KCNWLZZKKCXGOC-UHFFFAOYSA-N
Compound name
3-formyl-1H-indole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

170.04802 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.055296 137.3
[M+Na]+ 193.037238 150.4
[M-H]- 169.040744 139.2
[M+NH4]+ 188.081843 156.7
[M+K]+ 209.011178 144.3
[M+H-H2O]+ 153.045280 124.7
[M+HCOO]- 215.046221 157.4
[M+CH3COO]- 229.061871 149.9
[M+Na-2H]- 191.022686 143.8
[M]+ 170.04747142 133.3
[M]- 170.04856858 133.3
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

patents stripe