CID 498446

1-ethylpyrazole

Structural Information

Molecular Formula
C5H8N2
SMILES
CCN1C=CC=N1
InChI
InChI=1S/C5H8N2/c1-2-7-5-3-4-6-7/h3-5H,2H2,1H3
InChIKey
FLNMQGISZVYIIK-UHFFFAOYSA-N
Compound name
1-ethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4541
Patents

96.06875 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 116.1
[M+Na]+ 119.057968 125.2
[M-H]- 95.061474 117.2
[M+NH4]+ 114.102573 138.7
[M+K]+ 135.031908 124.7
[M+H-H2O]+ 79.066010 109.6
[M+HCOO]- 141.066951 140.1
[M+CH3COO]- 155.082601 164.9
[M+Na-2H]- 117.043416 124.1
[M]+ 96.06820142 116.3
[M]- 96.06929858 116.3
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