CID 640492

256954-38-8

Structural Information

Molecular Formula
C9H10F3N3
SMILES
C1CCC2=C(C1)C(=NC(=N2)N)C(F)(F)F
InChI
InChI=1S/C9H10F3N3/c10-9(11,12)7-5-3-1-2-4-6(5)14-8(13)15-7/h1-4H2,(H2,13,14,15)
InChIKey
DPGLGUYFUNFDRY-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

217.08269 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.089966 144.8
[M+Na]+ 240.071908 153.4
[M-H]- 216.075414 142.1
[M+NH4]+ 235.116513 161.3
[M+K]+ 256.045848 149.3
[M+H-H2O]+ 200.079950 135.0
[M+HCOO]- 262.080891 159.3
[M+CH3COO]- 276.096541 189.2
[M+Na-2H]- 238.057356 150.9
[M]+ 217.08214142 136.7
[M]- 217.08323858 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.