CID 67479916

2-(pyrrolidin-3-yl)-4-(trifluoromethyl)pyrimidine hydrochloride

Structural Information

Molecular Formula
C9H10F3N3
SMILES
C1CNCC1C2=NC=CC(=N2)C(F)(F)F
InChI
InChI=1S/C9H10F3N3/c10-9(11,12)7-2-4-14-8(15-7)6-1-3-13-5-6/h2,4,6,13H,1,3,5H2
InChIKey
BSKVXERQVWIOBC-UHFFFAOYSA-N
Compound name
2-pyrrolidin-3-yl-4-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

217.08269 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08997 144.2
[M+Na]+ 240.07191 152.0
[M-H]- 216.07541 141.4
[M+NH4]+ 235.11651 159.4
[M+K]+ 256.04585 147.7
[M+H-H2O]+ 200.07995 133.4
[M+HCOO]- 262.08089 157.8
[M+CH3COO]- 276.09654 182.3
[M+Na-2H]- 238.05736 147.9
[M]+ 217.08214 135.6
[M]- 217.08324 135.6
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