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

40
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 140.6
[M+Na]+ 209.10491 149.1
[M-H]- 185.10841 144.7
[M+NH4]+ 204.14951 159.5
[M+K]+ 225.07885 145.6
[M+H-H2O]+ 169.11295 132.3
[M+HCOO]- 231.11389 163.9
[M+CH3COO]- 245.12954 153.9
[M+Na-2H]- 207.09036 146.5
[M]+ 186.11514 141.2
[M]- 186.11624 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