CID 126838928

3-ethynyl-2-methyl-4,5,6,7-tetrahydro-2h-indazole

Structural Information

Molecular Formula
C10H12N2
SMILES
CN1C(=C2CCCCC2=N1)C#C
InChI
InChI=1S/C10H12N2/c1-3-10-8-6-4-5-7-9(8)11-12(10)2/h1H,4-7H2,2H3
InChIKey
AUKFKYFEJRLIGK-UHFFFAOYSA-N
Compound name
3-ethynyl-2-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 133.1
[M+Na]+ 183.08927 144.0
[M-H]- 159.09277 132.9
[M+NH4]+ 178.13387 151.8
[M+K]+ 199.06321 138.5
[M+H-H2O]+ 143.09731 120.0
[M+HCOO]- 205.09825 147.0
[M+CH3COO]- 219.11390 144.5
[M+Na-2H]- 181.07472 137.0
[M]+ 160.09950 125.8
[M]- 160.10060 125.8
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

No patent data available for this compound.