CID 24229648

3,4-dihydro-7-(hydroxymethyl)-4-methyl-2h-pyrido[3,2-b][1,4]oxazine

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CN1CCOC2=C1N=CC(=C2)CO
InChI
InChI=1S/C9H12N2O2/c1-11-2-3-13-8-4-7(6-12)5-10-9(8)11/h4-5,12H,2-3,6H2,1H3
InChIKey
PPBFQXGUORHMBA-UHFFFAOYSA-N
Compound name
(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.08987 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.8
[M+Na]+ 203.079088 146.1
[M-H]- 179.082594 138.8
[M+NH4]+ 198.123693 154.4
[M+K]+ 219.053028 144.6
[M+H-H2O]+ 163.087130 130.5
[M+HCOO]- 225.088071 154.7
[M+CH3COO]- 239.103721 178.6
[M+Na-2H]- 201.064536 146.0
[M]+ 180.08932142 137.0
[M]- 180.09041858 137.0
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