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

14
Patents

156.06874 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07602 132.0
[M+Na]+ 179.05796 145.5
[M-H]- 155.06146 132.4
[M+NH4]+ 174.10256 151.0
[M+K]+ 195.03190 139.6
[M+H-H2O]+ 139.06600 118.7
[M+HCOO]- 201.06694 149.6
[M+CH3COO]- 215.08259 144.6
[M+Na-2H]- 177.04341 138.2
[M]+ 156.06819 128.4
[M]- 156.06929 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