CID 12711096

1-propyl-1h-pyrazole

Structural Information

Molecular Formula
C6H10N2
SMILES
CCCN1C=CC=N1
InChI
InChI=1S/C6H10N2/c1-2-5-8-6-3-4-7-8/h3-4,6H,2,5H2,1H3
InChIKey
BDMFEFZOOOYCKN-UHFFFAOYSA-N
Compound name
1-propylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1635
Patents

110.0844 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.091676 120.8
[M+Na]+ 133.073618 129.4
[M-H]- 109.077124 121.7
[M+NH4]+ 128.118223 142.8
[M+K]+ 149.047558 128.7
[M+H-H2O]+ 93.081660 114.0
[M+HCOO]- 155.082601 144.5
[M+CH3COO]- 169.098251 168.0
[M+Na-2H]- 131.059066 128.2
[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