CID 50896804

1245822-75-6

Structural Information

Molecular Formula
C12H15N3O
SMILES
CCN1C(=CC=N1)COC2=CC=CC=C2N
InChI
InChI=1S/C12H15N3O/c1-2-15-10(7-8-14-15)9-16-12-6-4-3-5-11(12)13/h3-8H,2,9,13H2,1H3
InChIKey
MAONSNVIEUOBFK-UHFFFAOYSA-N
Compound name
2-[(2-ethylpyrazol-3-yl)methoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 147.9
[M+Na]+ 240.110718 156.3
[M-H]- 216.114224 151.9
[M+NH4]+ 235.155323 165.2
[M+K]+ 256.084658 152.9
[M+H-H2O]+ 200.118760 139.4
[M+HCOO]- 262.119701 171.8
[M+CH3COO]- 276.135351 189.8
[M+Na-2H]- 238.096166 152.6
[M]+ 217.12095142 148.6
[M]- 217.12204858 148.6
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.