CID 162381024

5-ethynyl-1-methyl-1h-indazole

Structural Information

Molecular Formula
C10H8N2
SMILES
CN1C2=C(C=C(C=C2)C#C)C=N1
InChI
InChI=1S/C10H8N2/c1-3-8-4-5-10-9(6-8)7-11-12(10)2/h1,4-7H,2H3
InChIKey
LZOXQHXKMZHVAJ-UHFFFAOYSA-N
Compound name
5-ethynyl-1-methylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

156.06874 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.076016 132.0
[M+Na]+ 179.057958 145.5
[M-H]- 155.061464 132.4
[M+NH4]+ 174.102563 151.0
[M+K]+ 195.031898 139.6
[M+H-H2O]+ 139.066000 118.7
[M+HCOO]- 201.066941 149.6
[M+CH3COO]- 215.082591 144.6
[M+Na-2H]- 177.043406 138.2
[M]+ 156.06819142 128.4
[M]- 156.06928858 128.4
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