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]+ 137.070936 123.2
[M+Na]+ 159.052878 134.2
[M-H]- 135.056384 122.5
[M+NH4]+ 154.097483 141.6
[M+K]+ 175.026818 131.9
[M+H-H2O]+ 119.060920 109.8
[M+HCOO]- 181.061861 140.7
[M+CH3COO]- 195.077511 181.4
[M+Na-2H]- 157.038326 128.5
[M]+ 136.06311142 119.4
[M]- 136.06420858 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.