CID 224783

5,6,7,8-tetrahydroquinazolin-2-amine

Structural Information

Molecular Formula
C8H11N3
SMILES
C1CCC2=NC(=NC=C2C1)N
InChI
InChI=1S/C8H11N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h5H,1-4H2,(H2,9,10,11)
InChIKey
AIOOBFYEASSZHV-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroquinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

65
Patents

149.09529 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10257 129.9
[M+Na]+ 172.08451 137.3
[M-H]- 148.08801 130.9
[M+NH4]+ 167.12911 149.0
[M+K]+ 188.05845 134.5
[M+H-H2O]+ 132.09255 122.4
[M+HCOO]- 194.09349 149.6
[M+CH3COO]- 208.10914 142.4
[M+Na-2H]- 170.06996 138.7
[M]+ 149.09474 125.1
[M]- 149.09584 125.1
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

patents stripe