CID 165941404

3-ethynyl-1-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C6H7N3
SMILES
CN1C(=CC(=N1)C#C)N
InChI
InChI=1S/C6H7N3/c1-3-5-4-6(7)9(2)8-5/h1,4H,7H2,2H3
InChIKey
DDYKMWLRVGTQAS-UHFFFAOYSA-N
Compound name
3-ethynyl-1-methylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.063995 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.071271 122.4
[M+Na]+ 144.053213 133.6
[M-H]- 120.056719 121.7
[M+NH4]+ 139.097818 141.1
[M+K]+ 160.027153 131.0
[M+H-H2O]+ 104.061255 109.2
[M+HCOO]- 166.062196 140.3
[M+CH3COO]- 180.077846 181.5
[M+Na-2H]- 142.038661 126.7
[M]+ 121.06344642 115.7
[M]- 121.06454358 115.7
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.