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]+ 136.08693 123.7
[M+Na]+ 158.06887 135.0
[M-H]- 134.07237 124.5
[M+NH4]+ 153.11347 142.8
[M+K]+ 174.04281 133.2
[M+H-H2O]+ 118.07691 110.1
[M+HCOO]- 180.07785 143.3
[M+CH3COO]- 194.09350 187.3
[M+Na-2H]- 156.05432 129.1
[M]+ 135.07910 120.0
[M]- 135.08020 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