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

28
Patents

103.06333 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 119.1
[M+Na]+ 126.05255 124.6
[M-H]- 102.05605 118.7
[M+NH4]+ 121.09715 137.8
[M+K]+ 142.02649 124.7
[M+H-H2O]+ 86.060590 113.6
[M+HCOO]- 148.06153 136.1
[M+CH3COO]- 162.07718 158.6
[M+Na-2H]- 124.03800 126.8
[M]+ 103.06278 113.1
[M]- 103.06388 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