CID 20983371

[1-(3-chlorophenyl)-1h-pyrazol-4-yl]methanamine hydrochloride

Structural Information

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

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.