CID 177798421

6-ethynyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C11H7NO
SMILES
C#CC1=CC2=C(C=C1)C(=CN2)C=O
InChI
InChI=1S/C11H7NO/c1-2-8-3-4-10-9(7-13)6-12-11(10)5-8/h1,3-7,12H
InChIKey
HYMZHARBPICJKN-UHFFFAOYSA-N
Compound name
6-ethynyl-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.05276 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.060036 138.2
[M+Na]+ 192.041978 151.6
[M-H]- 168.045484 139.0
[M+NH4]+ 187.086583 157.4
[M+K]+ 208.015918 144.3
[M+H-H2O]+ 152.050020 126.2
[M+HCOO]- 214.050961 155.9
[M+CH3COO]- 228.066611 150.5
[M+Na-2H]- 190.027426 143.5
[M]+ 169.05221142 133.6
[M]- 169.05330858 133.6
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

No patent data available for this compound.