CID 7131412

[(1-benzyl-1h-pyrazol-4-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C12H15N3
SMILES
CNCC1=CN(N=C1)CC2=CC=CC=C2
InChI
InChI=1S/C12H15N3/c1-13-7-12-8-14-15(10-12)9-11-5-3-2-4-6-11/h2-6,8,10,13H,7,9H2,1H3
InChIKey
GNNFYIHJZHYNQJ-UHFFFAOYSA-N
Compound name
1-(1-benzylpyrazol-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

201.1266 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 145.7
[M+Na]+ 224.11582 158.6
[M+NH4]+ 219.16042 154.2
[M+K]+ 240.08976 152.8
[M-H]- 200.11932 149.4
[M+Na-2H]- 222.10127 154.6
[M]+ 201.12605 148.5
[M]- 201.12715 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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