CID 141471858

Ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₂F₃N₃O₂

SMILES

CCOC(=O)C1=C(N=C2N1CCNC2)C(F)(F)F

InChI

InChI=1S/C10H12F3N3O2/c1-2-18-9(17)7-8(10(11,12)13)15-6-5-14-3-4-16(6)7/h14H,2-5H2,1H3

InChIKey

FLWBRHVINFRJTK-UHFFFAOYSA-N

Compound name

ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.08817 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.095446	156.5
[M+Na]+	286.077388	164.7
[M-H]-	262.080894	151.6
[M+NH4]+	281.121993	171.3
[M+K]+	302.051328	161.2
[M+H-H2O]+	246.085430	146.7
[M+HCOO]-	308.086371	167.8
[M+CH3COO]-	322.102021	191.7
[M+Na-2H]-	284.062836	158.6
[M]+	263.08762142	151.4
[M]-	263.08871858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe