CID 63126

14663-52-6

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CO
InChI
InChI=1S/C9H8N2O2/c12-6-11-5-10-8-4-2-1-3-7(8)9(11)13/h1-5,12H,6H2
InChIKey
QXTNOVYBNJTXRE-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

176.05858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.4
[M+Na]+ 199.04780 144.0
[M-H]- 175.05130 134.6
[M+NH4]+ 194.09240 151.6
[M+K]+ 215.02174 140.5
[M+H-H2O]+ 159.05584 126.4
[M+HCOO]- 221.05678 154.4
[M+CH3COO]- 235.07243 177.1
[M+Na-2H]- 197.03325 143.1
[M]+ 176.05803 134.3
[M]- 176.05913 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe