CID 17842433

5-ethynyl-1h-indazole

Structural Information

Molecular Formula
C9H6N2
SMILES
C#CC1=CC2=C(C=C1)NN=C2
InChI
InChI=1S/C9H6N2/c1-2-7-3-4-9-8(5-7)6-10-11-9/h1,3-6H,(H,10,11)
InChIKey
HITPFUFPRYAMGN-UHFFFAOYSA-N
Compound name
5-ethynyl-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

142.0531 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.060376 129.7
[M+Na]+ 165.042318 142.4
[M-H]- 141.045824 128.6
[M+NH4]+ 160.086923 148.3
[M+K]+ 181.016258 135.9
[M+H-H2O]+ 125.050360 116.6
[M+HCOO]- 187.051301 146.2
[M+CH3COO]- 201.066951 141.7
[M+Na-2H]- 163.027766 136.6
[M]+ 142.05255142 123.8
[M]- 142.05364858 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