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]+ 222.07926 147.2
[M+Na]+ 244.06120 161.0
[M+NH4]+ 239.10580 155.9
[M+K]+ 260.03514 155.7
[M-H]- 220.06470 150.8
[M+Na-2H]- 242.04665 155.4
[M]+ 221.07143 150.4
[M]- 221.07253 150.4
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.