CID 2063458

3-(3-formyl-1h-indol-1-yl)propanenitrile

Structural Information

Molecular Formula
C12H10N2O
SMILES
C1=CC=C2C(=C1)C(=CN2CCC#N)C=O
InChI
InChI=1S/C12H10N2O/c13-6-3-7-14-8-10(9-15)11-4-1-2-5-12(11)14/h1-2,4-5,8-9H,3,7H2
InChIKey
UTWRGCLFZOWWSI-UHFFFAOYSA-N
Compound name
3-(3-formylindol-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 144.0
[M+Na]+ 221.06854 156.6
[M-H]- 197.07204 146.8
[M+NH4]+ 216.11314 162.9
[M+K]+ 237.04248 150.8
[M+H-H2O]+ 181.07658 130.7
[M+HCOO]- 243.07752 164.8
[M+CH3COO]- 257.09317 196.6
[M+Na-2H]- 219.05399 150.0
[M]+ 198.07877 142.3
[M]- 198.07987 142.3
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