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]+ 222.079256 147.8
[M+Na]+ 244.061198 156.1
[M-H]- 220.064704 151.3
[M+NH4]+ 239.105803 165.3
[M+K]+ 260.035138 151.1
[M+H-H2O]+ 204.069240 139.6
[M+HCOO]- 266.070181 166.0
[M+CH3COO]- 280.085831 160.0
[M+Na-2H]- 242.046646 151.8
[M]+ 221.07143142 147.6
[M]- 221.07252858 147.6
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.