CID 28063657

2-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethanamine hydrochloride

Structural Information

Molecular Formula
C8H10F3N3
SMILES
CC1=CC(=NC(=N1)CCN)C(F)(F)F
InChI
InChI=1S/C8H10F3N3/c1-5-4-6(8(9,10)11)14-7(13-5)2-3-12/h4H,2-3,12H2,1H3
InChIKey
VASVEIQEERCESN-UHFFFAOYSA-N
Compound name
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08269 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08997 141.8
[M+Na]+ 228.07191 151.4
[M-H]- 204.07541 138.8
[M+NH4]+ 223.11651 158.1
[M+K]+ 244.04585 148.0
[M+H-H2O]+ 188.07995 132.2
[M+HCOO]- 250.08089 159.6
[M+CH3COO]- 264.09654 188.1
[M+Na-2H]- 226.05736 147.2
[M]+ 205.08214 137.2
[M]- 205.08324 137.2
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.