CID 20581451

2503206-22-0

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1CNCC2=C1C=NO2
InChI
InChI=1S/C6H8N2O/c1-2-7-4-6-5(1)3-8-9-6/h3,7H,1-2,4H2
InChIKey
BFFIACPYUHJBDJ-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

124.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 121.7
[M+Na]+ 147.05288 129.4
[M-H]- 123.05638 122.4
[M+NH4]+ 142.09748 141.9
[M+K]+ 163.02682 128.5
[M+H-H2O]+ 107.06092 115.2
[M+HCOO]- 169.06186 140.2
[M+CH3COO]- 183.07751 135.0
[M+Na-2H]- 145.03833 130.3
[M]+ 124.06311 118.4
[M]- 124.06421 118.4
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