CID 29062609

4-(2h-pyrazol-3-yl)-benzylamine dihydrochloride

Structural Information

Molecular Formula
C10H11N3
SMILES
C1=CC(=CC=C1CN)C2=CC=NN2
InChI
InChI=1S/C10H11N3/c11-7-8-1-3-9(4-2-8)10-5-6-12-13-10/h1-6H,7,11H2,(H,12,13)
InChIKey
PVJHXROUKGNRNK-UHFFFAOYSA-N
Compound name
[4-(1H-pyrazol-5-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

173.09529 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 137.0
[M+Na]+ 196.08451 149.5
[M+NH4]+ 191.12911 145.3
[M+K]+ 212.05845 144.7
[M-H]- 172.08801 140.1
[M+Na-2H]- 194.06996 145.4
[M]+ 173.09474 139.5
[M]- 173.09584 139.5
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