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 148.0
[M+Na]+ 244.06120 157.4
[M-H]- 220.06470 152.0
[M+NH4]+ 239.10580 165.9
[M+K]+ 260.03514 152.3
[M+H-H2O]+ 204.06924 140.2
[M+HCOO]- 266.07018 166.3
[M+CH3COO]- 280.08583 160.7
[M+Na-2H]- 242.04665 151.3
[M]+ 221.07143 148.3
[M]- 221.07253 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.