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]+ 202.13388 144.5
[M+Na]+ 224.11582 152.2
[M-H]- 200.11932 150.1
[M+NH4]+ 219.16042 163.1
[M+K]+ 240.08976 150.0
[M+H-H2O]+ 184.12386 135.6
[M+HCOO]- 246.12480 169.3
[M+CH3COO]- 260.14045 190.7
[M+Na-2H]- 222.10127 150.1
[M]+ 201.12605 145.6
[M]- 201.12715 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.