CID 82651107

3-ethyl-1-methyl-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C7H9N3
SMILES
CCC1=NN(C=C1C#N)C
InChI
InChI=1S/C7H9N3/c1-3-7-6(4-8)5-10(2)9-7/h5H,3H2,1-2H3
InChIKey
XMUZOPRQQMHJBI-UHFFFAOYSA-N
Compound name
3-ethyl-1-methylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

135.07965 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.086926 123.7
[M+Na]+ 158.068868 135.0
[M-H]- 134.072374 124.5
[M+NH4]+ 153.113473 142.8
[M+K]+ 174.042808 133.2
[M+H-H2O]+ 118.076910 110.1
[M+HCOO]- 180.077851 143.3
[M+CH3COO]- 194.093501 187.3
[M+Na-2H]- 156.054316 129.1
[M]+ 135.07910142 120.0
[M]- 135.08019858 120.0
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