CID 15092201

1-(prop-2-yn-1-yl)-1h-indole-2-carbaldehyde

Structural Information

Molecular Formula
C12H9NO
SMILES
C#CCN1C2=CC=CC=C2C=C1C=O
InChI
InChI=1S/C12H9NO/c1-2-7-13-11(9-14)8-10-5-3-4-6-12(10)13/h1,3-6,8-9H,7H2
InChIKey
WBEXUPDICMRHHG-UHFFFAOYSA-N
Compound name
1-prop-2-ynylindole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06842 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07570 139.5
[M+Na]+ 206.05764 153.5
[M+NH4]+ 201.10224 144.8
[M+K]+ 222.03158 144.4
[M-H]- 182.06114 133.4
[M+Na-2H]- 204.04309 143.4
[M]+ 183.06787 139.0
[M]- 183.06897 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.