CID 22241660

5-benzyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C10H11N3
SMILES
C1=CC=C(C=C1)CC2=CC(=NN2)N
InChI
InChI=1S/C10H11N3/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,11,12,13)
InChIKey
VEPHCDGFBYQNGE-UHFFFAOYSA-N
Compound name
5-benzyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

173.09529 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 135.8
[M+Na]+ 196.08451 143.9
[M-H]- 172.08801 138.4
[M+NH4]+ 191.12911 153.9
[M+K]+ 212.05845 139.5
[M+H-H2O]+ 156.09255 127.9
[M+HCOO]- 218.09349 158.7
[M+CH3COO]- 232.10914 148.5
[M+Na-2H]- 194.06996 141.8
[M]+ 173.09474 132.2
[M]- 173.09584 132.2
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