CID 55264380

1060795-33-6

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

1
Patents

144.06874 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07602 130.3
[M+Na]+ 167.05796 141.2
[M-H]- 143.06146 128.8
[M+NH4]+ 162.10256 148.7
[M+K]+ 183.03190 135.0
[M+H-H2O]+ 127.06600 117.2
[M+HCOO]- 189.06694 144.4
[M+CH3COO]- 203.08259 141.5
[M+Na-2H]- 165.04341 135.6
[M]+ 144.06819 121.9
[M]- 144.06929 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

No patent data available for this compound.