CID 84071240

1446001-87-1

Structural Information

Molecular Formula
C7H7ClN2O
SMILES
C1COC2=CN=C(C=C2N1)Cl
InChI
InChI=1S/C7H7ClN2O/c8-7-3-5-6(4-10-7)11-2-1-9-5/h3-4,9H,1-2H2
InChIKey
YRTCKHNUFOCIEP-UHFFFAOYSA-N
Compound name
7-chloro-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

170.02469 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.031966 130.7
[M+Na]+ 193.013908 139.7
[M-H]- 169.017414 131.3
[M+NH4]+ 188.058513 148.2
[M+K]+ 208.987848 136.4
[M+H-H2O]+ 153.021950 124.2
[M+HCOO]- 215.022891 143.4
[M+CH3COO]- 229.038541 143.2
[M+Na-2H]- 190.999356 140.2
[M]+ 170.02414142 129.2
[M]- 170.02523858 129.2
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