CID 14003887

1-phenyl-5-propyl-1h-pyrazole

Structural Information

Molecular Formula
C12H14N2
SMILES
CCCC1=CC=NN1C2=CC=CC=C2
InChI
InChI=1S/C12H14N2/c1-2-6-11-9-10-13-14(11)12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3
InChIKey
VICXKFLOMKMGEH-UHFFFAOYSA-N
Compound name
1-phenyl-5-propylpyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

186.11569 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.122966 140.6
[M+Na]+ 209.104908 149.1
[M-H]- 185.108414 144.7
[M+NH4]+ 204.149513 159.5
[M+K]+ 225.078848 145.6
[M+H-H2O]+ 169.112950 132.3
[M+HCOO]- 231.113891 163.9
[M+CH3COO]- 245.129541 153.9
[M+Na-2H]- 207.090356 146.5
[M]+ 186.11514142 141.2
[M]- 186.11623858 141.2
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