CID 57320331

1-phenyl-3-propyl-pyrazole

Structural Information

Molecular Formula
C12H14N2
SMILES
CCCC1=NN(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2/c1-2-6-11-9-10-14(13-11)12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3
InChIKey
ZHVUSSKUCZSPFQ-UHFFFAOYSA-N
Compound name
1-phenyl-3-propylpyrazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

43
Patents

186.11569 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 141.8
[M+Na]+ 209.10491 156.1
[M+NH4]+ 204.14951 150.9
[M+K]+ 225.07885 149.8
[M-H]- 185.10841 145.4
[M+Na-2H]- 207.09036 151.1
[M]+ 186.11514 144.9
[M]- 186.11624 144.9
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