CID 47003264

2-[1-(3-fluorophenyl)-1h-pyrazol-3-yl]ethan-1-amine

Structural Information

Molecular Formula
C11H12FN3
SMILES
C1=CC(=CC(=C1)F)N2C=CC(=N2)CCN
InChI
InChI=1S/C11H12FN3/c12-9-2-1-3-11(8-9)15-7-5-10(14-15)4-6-13/h1-3,5,7-8H,4,6,13H2
InChIKey
ILXGOZUTXPJJLC-UHFFFAOYSA-N
Compound name
2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.10153 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10881 144.2
[M+Na]+ 228.09075 156.4
[M+NH4]+ 223.13535 151.8
[M+K]+ 244.06469 151.3
[M-H]- 204.09425 146.3
[M+Na-2H]- 226.07620 151.8
[M]+ 205.10098 146.3
[M]- 205.10208 146.3
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

No patent data available for this compound.