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

116
Patents

170.04802 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05530 137.3
[M+Na]+ 193.03724 150.4
[M-H]- 169.04074 139.2
[M+NH4]+ 188.08184 156.7
[M+K]+ 209.01118 144.3
[M+H-H2O]+ 153.04528 124.7
[M+HCOO]- 215.04622 157.4
[M+CH3COO]- 229.06187 149.9
[M+Na-2H]- 191.02269 143.8
[M]+ 170.04747 133.3
[M]- 170.04857 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