CID 55287981

2243509-58-0

Structural Information

Molecular Formula
C9H6N2
SMILES
C#CC1=CN=C2C(=C1)C=CN2
InChI
InChI=1S/C9H6N2/c1-2-7-5-8-3-4-10-9(8)11-6-7/h1,3-6H,(H,10,11)
InChIKey
ZDWOZOQHSOWIJD-UHFFFAOYSA-N
Compound name
5-ethynyl-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

142.0531 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06038 129.7
[M+Na]+ 165.04232 142.4
[M-H]- 141.04582 128.6
[M+NH4]+ 160.08692 148.3
[M+K]+ 181.01626 135.9
[M+H-H2O]+ 125.05036 116.6
[M+HCOO]- 187.05130 146.2
[M+CH3COO]- 201.06695 141.7
[M+Na-2H]- 163.02777 136.6
[M]+ 142.05255 123.8
[M]- 142.05365 123.8
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