CID 91081974

1,2-oxazinan-4-ol

Structural Information

Molecular Formula
C4H9NO2
SMILES
C1CONCC1O
InChI
InChI=1S/C4H9NO2/c6-4-1-2-7-5-3-4/h4-6H,1-3H2
InChIKey
PQZDVIDTPXBOCJ-UHFFFAOYSA-N
Compound name
oxazinan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

103.06333 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 119.1
[M+Na]+ 126.052548 124.6
[M-H]- 102.056054 118.7
[M+NH4]+ 121.097153 137.8
[M+K]+ 142.026488 124.7
[M+H-H2O]+ 86.060590 113.6
[M+HCOO]- 148.061531 136.1
[M+CH3COO]- 162.077181 158.6
[M+Na-2H]- 124.037996 126.8
[M]+ 103.06278142 113.1
[M]- 103.06387858 113.1
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