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]+ 184.075696 140.7
[M+Na]+ 206.057638 154.0
[M-H]- 182.061144 142.5
[M+NH4]+ 201.102243 160.0
[M+K]+ 222.031578 147.3
[M+H-H2O]+ 166.065680 128.2
[M+HCOO]- 228.066621 159.4
[M+CH3COO]- 242.082271 153.2
[M+Na-2H]- 204.043086 146.0
[M]+ 183.06787142 138.1
[M]- 183.06896858 138.1
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.