CID 42917076

2-[5-amino-1-(propan-2-yl)-1h-pyrazol-4-yl]-1,1,1-trifluoropropan-2-ol

Structural Information

Molecular Formula
C9H14F3N3O
SMILES
CC(C)N1C(=C(C=N1)C(C)(C(F)(F)F)O)N
InChI
InChI=1S/C9H14F3N3O/c1-5(2)15-7(13)6(4-14-15)8(3,16)9(10,11)12/h4-5,16H,13H2,1-3H3
InChIKey
SGQRRCWCUPKHQG-UHFFFAOYSA-N
Compound name
2-(5-amino-1-propan-2-ylpyrazol-4-yl)-1,1,1-trifluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1089 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11618 150.0
[M+Na]+ 260.09812 158.5
[M-H]- 236.10162 146.1
[M+NH4]+ 255.14272 166.1
[M+K]+ 276.07206 156.0
[M+H-H2O]+ 220.10616 141.7
[M+HCOO]- 282.10710 164.4
[M+CH3COO]- 296.12275 192.0
[M+Na-2H]- 258.08357 152.2
[M]+ 237.10835 144.8
[M]- 237.10945 144.8
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.