CID 65200780

2287312-32-5

Structural Information

Molecular Formula
C13H16FN3
SMILES
CNC(CC1=CC=C(C=C1)F)C2=NN(C=C2)C
InChI
InChI=1S/C13H16FN3/c1-15-13(12-7-8-17(2)16-12)9-10-3-5-11(14)6-4-10/h3-8,13,15H,9H2,1-2H3
InChIKey
CXGLVWLMHBDZOX-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.13283 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14011 152.0
[M+Na]+ 256.12205 159.8
[M-H]- 232.12555 155.0
[M+NH4]+ 251.16665 168.8
[M+K]+ 272.09599 155.9
[M+H-H2O]+ 216.13009 142.5
[M+HCOO]- 278.13103 173.9
[M+CH3COO]- 292.14668 194.9
[M+Na-2H]- 254.10750 155.3
[M]+ 233.13228 151.0
[M]- 233.13338 151.0
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.