CID 33788901

1000895-40-8

Structural Information

Molecular Formula
C11H13N3
SMILES
C1=CC=C(C=C1)CCC2=CC(=NN2)N
InChI
InChI=1S/C11H13N3/c12-11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,12,13,14)
InChIKey
XRFRSAFQLGCWFY-UHFFFAOYSA-N
Compound name
5-(2-phenylethyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

187.11095 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 140.3
[M+Na]+ 210.100168 147.9
[M-H]- 186.103674 142.7
[M+NH4]+ 205.144773 157.8
[M+K]+ 226.074108 143.3
[M+H-H2O]+ 170.108210 132.1
[M+HCOO]- 232.109151 162.8
[M+CH3COO]- 246.124801 152.6
[M+Na-2H]- 208.085616 145.8
[M]+ 187.11040142 137.0
[M]- 187.11149858 137.0
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