CID 17799937

5-ethyl-4,5-dihydro-1h-pyrazole

Structural Information

Molecular Formula
C5H10N2
SMILES
CCC1CC=NN1
InChI
InChI=1S/C5H10N2/c1-2-5-3-4-6-7-5/h4-5,7H,2-3H2,1H3
InChIKey
RHYLDYHNTARSRG-UHFFFAOYSA-N
Compound name
5-ethyl-4,5-dihydro-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

98.0844 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.091676 119.3
[M+Na]+ 121.07362 126.9
[M-H]- 97.077124 118.6
[M+NH4]+ 116.11822 141.0
[M+K]+ 137.04756 125.7
[M+H-H2O]+ 81.081660 112.9
[M+HCOO]- 143.08260 140.3
[M+CH3COO]- 157.09825 162.5
[M+Na-2H]- 119.05907 125.7
[M]+ 98.083851 116.2
[M]- 98.084949 116.2
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