CID 62366745

3-[2-(2-methylphenyl)ethyl]-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C12H15N3
SMILES
CC1=CC=CC=C1CCC2=CC(=NN2)N
InChI
InChI=1S/C12H15N3/c1-9-4-2-3-5-10(9)6-7-11-8-12(13)15-14-11/h2-5,8H,6-7H2,1H3,(H3,13,14,15)
InChIKey
TYDUIXLKOWFZET-UHFFFAOYSA-N
Compound name
5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.1266 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 145.3
[M+Na]+ 224.11582 153.4
[M-H]- 200.11932 147.9
[M+NH4]+ 219.16042 162.6
[M+K]+ 240.08976 148.5
[M+H-H2O]+ 184.12386 137.2
[M+HCOO]- 246.12480 167.5
[M+CH3COO]- 260.14045 157.5
[M+Na-2H]- 222.10127 149.5
[M]+ 201.12605 142.8
[M]- 201.12715 142.8
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.