CID 25247549

3-cyclopropyl-1-ethyl-1h-pyrazole

Structural Information

Molecular Formula
C8H12N2
SMILES
CCN1C=CC(=N1)C2CC2
InChI
InChI=1S/C8H12N2/c1-2-10-6-5-8(9-10)7-3-4-7/h5-7H,2-4H2,1H3
InChIKey
XVWUFBYNBFOLHM-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-ethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

136.10005 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 132.5
[M+Na]+ 159.089268 143.2
[M-H]- 135.092774 137.5
[M+NH4]+ 154.133873 148.7
[M+K]+ 175.063208 140.2
[M+H-H2O]+ 119.097310 124.8
[M+HCOO]- 181.098251 155.8
[M+CH3COO]- 195.113901 177.2
[M+Na-2H]- 157.074716 138.0
[M]+ 136.09950142 135.0
[M]- 136.10059858 135.0
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