CID 55264380

5-ethynyl-1h,2h,3h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C9H8N2
SMILES
C#CC1=CC2=C(NCC2)N=C1
InChI
InChI=1S/C9H8N2/c1-2-7-5-8-3-4-10-9(8)11-6-7/h1,5-6H,3-4H2,(H,10,11)
InChIKey
DUYCRVWSLCXOKM-UHFFFAOYSA-N
Compound name
5-ethynyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

144.06874 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.076016 130.3
[M+Na]+ 167.057958 141.2
[M-H]- 143.061464 128.8
[M+NH4]+ 162.102563 148.7
[M+K]+ 183.031898 135.0
[M+H-H2O]+ 127.066000 117.2
[M+HCOO]- 189.066941 144.4
[M+CH3COO]- 203.082591 141.5
[M+Na-2H]- 165.043406 135.6
[M]+ 144.06819142 121.9
[M]- 144.06928858 121.9
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