CID 123812118

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

121.063995 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07127 122.4
[M+Na]+ 144.05321 133.6
[M-H]- 120.05672 121.7
[M+NH4]+ 139.09782 141.1
[M+K]+ 160.02715 131.0
[M+H-H2O]+ 104.06126 109.2
[M+HCOO]- 166.06220 140.3
[M+CH3COO]- 180.07785 181.5
[M+Na-2H]- 142.03866 126.7
[M]+ 121.06345 115.7
[M]- 121.06454 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

patents stripe