CID 18992

Glycorine

Structural Information

Molecular Formula
C9H8N2O
SMILES
CN1C=NC(=O)C2=CC=CC=C21
InChI
InChI=1S/C9H8N2O/c1-11-6-10-9(12)7-4-2-3-5-8(7)11/h2-6H,1H3
InChIKey
QAXCWBIVFCEYGG-UHFFFAOYSA-N
Compound name
1-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

160.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 129.5
[M+Na]+ 183.05288 140.7
[M-H]- 159.05638 132.1
[M+NH4]+ 178.09748 149.2
[M+K]+ 199.02682 137.5
[M+H-H2O]+ 143.06092 122.4
[M+HCOO]- 205.06186 151.8
[M+CH3COO]- 219.07751 143.9
[M+Na-2H]- 181.03833 139.7
[M]+ 160.06311 130.8
[M]- 160.06421 130.8
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