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
1
Annotation Hits

0
References

513
Patents

110.0844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 120.4
[M+Na]+ 133.07362 130.0
[M-H]- 109.07712 121.7
[M+NH4]+ 128.11822 142.7
[M+K]+ 149.04756 129.2
[M+H-H2O]+ 93.081660 113.9
[M+HCOO]- 155.08260 144.0
[M+CH3COO]- 169.09825 169.0
[M+Na-2H]- 131.05907 127.1
[M]+ 110.08385 121.3
[M]- 110.08495 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