CID 84127067

1779578-39-0

Structural Information

Molecular Formula
C12H15N3O
SMILES
CNCC1=CC(=NN1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C12H15N3O/c1-13-8-10-7-12(15-14-10)9-4-3-5-11(6-9)16-2/h3-7,13H,8H2,1-2H3,(H,14,15)
InChIKey
MQJXUWRRNGREMT-UHFFFAOYSA-N
Compound name
1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 147.9
[M+Na]+ 240.11072 155.8
[M-H]- 216.11422 151.0
[M+NH4]+ 235.15532 164.7
[M+K]+ 256.08466 151.9
[M+H-H2O]+ 200.11876 139.6
[M+HCOO]- 262.11970 170.9
[M+CH3COO]- 276.13535 187.9
[M+Na-2H]- 238.09617 153.1
[M]+ 217.12095 147.7
[M]- 217.12205 147.7
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.