CID 16640649

925154-89-8

Structural Information

Molecular Formula
C7H10F3N3
SMILES
CC1=CC(=NN1CCN)C(F)(F)F
InChI
InChI=1S/C7H10F3N3/c1-5-4-6(7(8,9)10)12-13(5)3-2-11/h4H,2-3,11H2,1H3
InChIKey
SHUCOXQGYVIPDK-UHFFFAOYSA-N
Compound name
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

193.08269 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08997 137.2
[M+Na]+ 216.07191 147.0
[M-H]- 192.07541 134.4
[M+NH4]+ 211.11651 155.8
[M+K]+ 232.04585 144.3
[M+H-H2O]+ 176.07995 128.1
[M+HCOO]- 238.08089 156.2
[M+CH3COO]- 252.09654 185.1
[M+Na-2H]- 214.05736 141.0
[M]+ 193.08214 133.0
[M]- 193.08324 133.0
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

patents stripe