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]+ 218.128776 147.9
[M+Na]+ 240.110718 155.8
[M-H]- 216.114224 151.0
[M+NH4]+ 235.155323 164.7
[M+K]+ 256.084658 151.9
[M+H-H2O]+ 200.118760 139.6
[M+HCOO]- 262.119701 170.9
[M+CH3COO]- 276.135351 187.9
[M+Na-2H]- 238.096166 153.1
[M]+ 217.12095142 147.7
[M]- 217.12204858 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.