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]+ 218.08997 144.8
[M+Na]+ 240.07191 153.4
[M-H]- 216.07541 142.1
[M+NH4]+ 235.11651 161.3
[M+K]+ 256.04585 149.3
[M+H-H2O]+ 200.07995 135.0
[M+HCOO]- 262.08089 159.3
[M+CH3COO]- 276.09654 189.2
[M+Na-2H]- 238.05736 150.9
[M]+ 217.08214 136.7
[M]- 217.08324 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.