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 140.7
[M+Na]+ 206.05764 154.0
[M-H]- 182.06114 142.5
[M+NH4]+ 201.10224 160.0
[M+K]+ 222.03158 147.3
[M+H-H2O]+ 166.06568 128.2
[M+HCOO]- 228.06662 159.4
[M+CH3COO]- 242.08227 153.2
[M+Na-2H]- 204.04309 146.0
[M]+ 183.06787 138.1
[M]- 183.06897 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.