CID 116794077

1-methyl-4-(prop-2-yn-1-yloxy)-1h-pyrazole

Structural Information

Molecular Formula
C7H8N2O
SMILES
CN1C=C(C=N1)OCC#C
InChI
InChI=1S/C7H8N2O/c1-3-4-10-7-5-8-9(2)6-7/h1,5-6H,4H2,2H3
InChIKey
JYVSHYKJORHWNX-UHFFFAOYSA-N
Compound name
1-methyl-4-prop-2-ynoxypyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 123.2
[M+Na]+ 159.05288 134.2
[M-H]- 135.05638 122.5
[M+NH4]+ 154.09748 141.6
[M+K]+ 175.02682 131.9
[M+H-H2O]+ 119.06092 109.8
[M+HCOO]- 181.06186 140.7
[M+CH3COO]- 195.07751 181.4
[M+Na-2H]- 157.03833 128.5
[M]+ 136.06311 119.4
[M]- 136.06421 119.4
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

No patent data available for this compound.