CID 145769935

3-ethynyl-1-methyl-4,5,6,7-tetrahydro-1h-indazole

Structural Information

Molecular Formula
C10H12N2
SMILES
CN1C2=C(CCCC2)C(=N1)C#C
InChI
InChI=1S/C10H12N2/c1-3-9-8-6-4-5-7-10(8)12(2)11-9/h1H,4-7H2,2H3
InChIKey
RDBLVCAPPFXMGB-UHFFFAOYSA-N
Compound name
3-ethynyl-1-methyl-4,5,6,7-tetrahydroindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.10005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 137.1
[M+Na]+ 183.08927 149.2
[M+NH4]+ 178.13387 142.6
[M+K]+ 199.06321 140.9
[M-H]- 159.09277 130.5
[M+Na-2H]- 181.07472 139.1
[M]+ 160.09950 136.1
[M]- 160.10060 136.1
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.