CID 65200505

(4-chlorophenyl)(1-methyl-1h-pyrazol-3-yl)methanamine

Structural Information

Molecular Formula
C11H12ClN3
SMILES
CN1C=CC(=N1)C(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C11H12ClN3/c1-15-7-6-10(14-15)11(13)8-2-4-9(12)5-3-8/h2-7,11H,13H2,1H3
InChIKey
OJQMHFMFJQMYGG-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07198 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.079256 148.0
[M+Na]+ 244.061198 157.4
[M-H]- 220.064704 152.0
[M+NH4]+ 239.105803 165.9
[M+K]+ 260.035138 152.3
[M+H-H2O]+ 204.069240 140.2
[M+HCOO]- 266.070181 166.3
[M+CH3COO]- 280.085831 160.7
[M+Na-2H]- 242.046646 151.3
[M]+ 221.07143142 148.3
[M]- 221.07252858 148.3
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.