CID 90423270

5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C7H10F3N3
SMILES
CC(C)(C1=CC(=NN1)N)C(F)(F)F
InChI
InChI=1S/C7H10F3N3/c1-6(2,7(8,9)10)4-3-5(11)13-12-4/h3H,1-2H3,(H3,11,12,13)
InChIKey
UFURTCZYIQQFAZ-UHFFFAOYSA-N
Compound name
5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

193.08269 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08997 138.2
[M+Na]+ 216.07191 147.0
[M-H]- 192.07541 134.1
[M+NH4]+ 211.11651 155.9
[M+K]+ 232.04585 143.9
[M+H-H2O]+ 176.07995 129.8
[M+HCOO]- 238.08089 154.0
[M+CH3COO]- 252.09654 181.8
[M+Na-2H]- 214.05736 143.0
[M]+ 193.08214 131.1
[M]- 193.08324 131.1
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

patents stripe