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]+ 181.09715 137.8
[M+Na]+ 203.07909 146.1
[M-H]- 179.08259 138.8
[M+NH4]+ 198.12369 154.4
[M+K]+ 219.05303 144.6
[M+H-H2O]+ 163.08713 130.5
[M+HCOO]- 225.08807 154.7
[M+CH3COO]- 239.10372 178.6
[M+Na-2H]- 201.06454 146.0
[M]+ 180.08932 137.0
[M]- 180.09042 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