CID 105082232

1-(1-phenyl-1h-pyrazol-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C11H13N3
SMILES
CC(C1=NN(C=C1)C2=CC=CC=C2)N
InChI
InChI=1S/C11H13N3/c1-9(12)11-7-8-14(13-11)10-5-3-2-4-6-10/h2-9H,12H2,1H3
InChIKey
COWDAISMBRJFEK-UHFFFAOYSA-N
Compound name
1-(1-phenylpyrazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.11095 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 140.7
[M+Na]+ 210.100168 148.4
[M-H]- 186.103674 144.6
[M+NH4]+ 205.144773 158.9
[M+K]+ 226.074108 145.2
[M+H-H2O]+ 170.108210 132.4
[M+HCOO]- 232.109151 163.7
[M+CH3COO]- 246.124801 153.5
[M+Na-2H]- 208.085616 145.4
[M]+ 187.11040142 138.7
[M]- 187.11149858 138.7
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.