CID 351208

6-methyl-1,3-oxazinan-2-one

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC1CCNC(=O)O1
InChI
InChI=1S/C5H9NO2/c1-4-2-3-6-5(7)8-4/h4H,2-3H2,1H3,(H,6,7)
InChIKey
VRKYYVMHRNLUCM-UHFFFAOYSA-N
Compound name
6-methyl-1,3-oxazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

115.06333 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 121.2
[M+Na]+ 138.05255 128.1
[M-H]- 114.05605 122.5
[M+NH4]+ 133.09715 140.5
[M+K]+ 154.02649 128.2
[M+H-H2O]+ 98.060590 115.7
[M+HCOO]- 160.06153 139.7
[M+CH3COO]- 174.07718 164.5
[M+Na-2H]- 136.03800 128.3
[M]+ 115.06278 117.2
[M]- 115.06388 117.2
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