CID 12581083

3-ethyl-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C6H10N2
SMILES
CCC1=NN(C=C1)C
InChI
InChI=1S/C6H10N2/c1-3-6-4-5-8(2)7-6/h4-5H,3H2,1-2H3
InChIKey
ZAXITHHHFYZUGN-UHFFFAOYSA-N
Compound name
3-ethyl-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

552
Patents

110.0844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.091676 120.4
[M+Na]+ 133.073618 130.0
[M-H]- 109.077124 121.7
[M+NH4]+ 128.118223 142.7
[M+K]+ 149.047558 129.2
[M+H-H2O]+ 93.081660 113.9
[M+HCOO]- 155.082601 144.0
[M+CH3COO]- 169.098251 169.0
[M+Na-2H]- 131.059066 127.1
[M]+ 110.08385142 121.3
[M]- 110.08494858 121.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe