CID 63317230

2-(pyrrolidin-2-yl)-4-(trifluoromethyl)pyrimidine hydrochloride

Structural Information

Molecular Formula
C9H10F3N3
SMILES
C1CC(NC1)C2=NC=CC(=N2)C(F)(F)F
InChI
InChI=1S/C9H10F3N3/c10-9(11,12)7-3-5-14-8(15-7)6-2-1-4-13-6/h3,5-6,13H,1-2,4H2
InChIKey
UYXOJZURHVPGSE-UHFFFAOYSA-N
Compound name
2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08269 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08997 148.3
[M+Na]+ 240.07191 156.5
[M+NH4]+ 235.11651 153.2
[M+K]+ 256.04585 153.4
[M-H]- 216.07541 144.7
[M+Na-2H]- 238.05736 152.4
[M]+ 217.08214 148.0
[M]- 217.08324 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.