CID 65805510

2378502-08-8

Structural Information

Molecular Formula
C10H10ClN3
SMILES
C1=CC=C(C(=C1)N2C=CC(=N2)CN)Cl
InChI
InChI=1S/C10H10ClN3/c11-9-3-1-2-4-10(9)14-6-5-8(7-12)13-14/h1-6H,7,12H2
InChIKey
DPLUVVBHHKMZSQ-UHFFFAOYSA-N
Compound name
[1-(2-chlorophenyl)pyrazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05632 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06360 142.6
[M+Na]+ 230.04554 156.8
[M+NH4]+ 225.09014 151.5
[M+K]+ 246.01948 151.0
[M-H]- 206.04904 146.3
[M+Na-2H]- 228.03099 151.4
[M]+ 207.05577 145.9
[M]- 207.05687 145.9
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.