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]+ 199.086596 144.0
[M+Na]+ 221.068538 156.6
[M-H]- 197.072044 146.8
[M+NH4]+ 216.113143 162.9
[M+K]+ 237.042478 150.8
[M+H-H2O]+ 181.076580 130.7
[M+HCOO]- 243.077521 164.8
[M+CH3COO]- 257.093171 196.6
[M+Na-2H]- 219.053986 150.0
[M]+ 198.07877142 142.3
[M]- 198.07986858 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