CID 135504743

2-amino-5,6,7,8-tetrahydro-4-quinazolinol

Structural Information

Molecular Formula
C8H11N3O
SMILES
C1CCC2=C(C1)C(=O)NC(=N2)N
InChI
InChI=1S/C8H11N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H2,(H3,9,10,11,12)
InChIKey
MUGVXCHGASIZAN-UHFFFAOYSA-N
Compound name
2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

165.09021 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.097486 133.2
[M+Na]+ 188.079428 141.5
[M-H]- 164.082934 133.3
[M+NH4]+ 183.124033 151.2
[M+K]+ 204.053368 137.6
[M+H-H2O]+ 148.087470 126.2
[M+HCOO]- 210.088411 151.8
[M+CH3COO]- 224.104061 145.3
[M+Na-2H]- 186.064876 140.7
[M]+ 165.08966142 127.7
[M]- 165.09075858 127.7
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

patents stripe