CID 61615916

2-(4-chlorophenyl)-2-(1h-pyrazol-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C11H12ClN3
SMILES
C1=CN(N=C1)C(CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H12ClN3/c12-10-4-2-9(3-5-10)11(8-13)15-7-1-6-14-15/h1-7,11H,8,13H2
InChIKey
VRLSQDSJKPKWDD-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-pyrazol-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07198 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07926 147.3
[M+Na]+ 244.06120 160.6
[M+NH4]+ 239.10580 155.9
[M+K]+ 260.03514 155.1
[M-H]- 220.06470 150.7
[M+Na-2H]- 242.04665 155.7
[M]+ 221.07143 150.3
[M]- 221.07253 150.3
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.

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No patent data available for this compound.