CID 206687

Pyrazole, 1-benzyl-4-(dimethylamino)-

Structural Information

Molecular Formula
C12H15N3
SMILES
CN(C)C1=CN(N=C1)CC2=CC=CC=C2
InChI
InChI=1S/C12H15N3/c1-14(2)12-8-13-15(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChIKey
ASUNQWKCKBQNNC-UHFFFAOYSA-N
Compound name
1-benzyl-N,N-dimethylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.1266 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 144.5
[M+Na]+ 224.115818 152.2
[M-H]- 200.119324 150.1
[M+NH4]+ 219.160423 163.1
[M+K]+ 240.089758 150.0
[M+H-H2O]+ 184.123860 135.6
[M+HCOO]- 246.124801 169.3
[M+CH3COO]- 260.140451 190.7
[M+Na-2H]- 222.101266 150.1
[M]+ 201.12605142 145.6
[M]- 201.12714858 145.6
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.