CID 45792399

{[1-(3-chlorophenyl)-1h-pyrazol-4-yl]methyl}(methyl)amine hydrochloride

Structural Information

Molecular Formula
C11H12ClN3
SMILES
CNCC1=CN(N=C1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H12ClN3/c1-13-6-9-7-14-15(8-9)11-4-2-3-10(12)5-11/h2-5,7-8,13H,6H2,1H3
InChIKey
JNHYNAWFDARSOO-UHFFFAOYSA-N
Compound name
1-[1-(3-chlorophenyl)pyrazol-4-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07198 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07926 147.5
[M+Na]+ 244.06120 157.0
[M-H]- 220.06470 151.7
[M+NH4]+ 239.10580 165.6
[M+K]+ 260.03514 151.8
[M+H-H2O]+ 204.06924 139.4
[M+HCOO]- 266.07018 167.2
[M+CH3COO]- 280.08583 160.4
[M+Na-2H]- 242.04665 152.9
[M]+ 221.07143 149.2
[M]- 221.07253 149.2
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.