CID 165995372

2763780-51-2

Structural Information

Molecular Formula
C12H15N3O
SMILES
CN1C=C(C(=N1)OCC2=CC=CC=C2)CN
InChI
InChI=1S/C12H15N3O/c1-15-8-11(7-13)12(14-15)16-9-10-5-3-2-4-6-10/h2-6,8H,7,9,13H2,1H3
InChIKey
JTWAFALSWHPBIT-UHFFFAOYSA-N
Compound name
(1-methyl-3-phenylmethoxypyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 148.9
[M+Na]+ 240.11072 161.5
[M+NH4]+ 235.15532 156.7
[M+K]+ 256.08466 156.6
[M-H]- 216.11422 152.1
[M+Na-2H]- 238.09617 156.7
[M]+ 217.12095 151.5
[M]- 217.12205 151.5
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.