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]+ 202.133876 144.2
[M+Na]+ 224.115818 151.7
[M-H]- 200.119324 148.2
[M+NH4]+ 219.160423 162.1
[M+K]+ 240.089758 148.1
[M+H-H2O]+ 184.123860 135.5
[M+HCOO]- 246.124801 168.5
[M+CH3COO]- 260.140451 187.3
[M+Na-2H]- 222.101266 150.6
[M]+ 201.12605142 144.1
[M]- 201.12714858 144.1
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

patents stripe