CID 1508616

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

Structural Information

Molecular Formula
C10H11N3
SMILES
C1=CC=C(C=C1)CN2C=CC(=N2)N
InChI
InChI=1S/C10H11N3/c11-10-6-7-13(12-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,11,12)
InChIKey
VSUXHXCLAWFAJR-UHFFFAOYSA-N
Compound name
1-benzylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

189
Patents

173.09529 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 136.6
[M+Na]+ 196.08451 149.7
[M+NH4]+ 191.12911 145.3
[M+K]+ 212.05845 144.6
[M-H]- 172.08801 140.3
[M+Na-2H]- 194.06996 145.6
[M]+ 173.09474 139.4
[M]- 173.09584 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe