CID 19874185

4-methyl-1,3-oxazinane

Structural Information

Molecular Formula
C5H11NO
SMILES
CC1CCOCN1
InChI
InChI=1S/C5H11NO/c1-5-2-3-7-4-6-5/h5-6H,2-4H2,1H3
InChIKey
DERHCVDZYDOLNE-UHFFFAOYSA-N
Compound name
4-methyl-1,3-oxazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

101.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 119.9
[M+Na]+ 124.07328 125.4
[M-H]- 100.07678 120.7
[M+NH4]+ 119.11788 139.5
[M+K]+ 140.04722 125.8
[M+H-H2O]+ 84.081320 114.2
[M+HCOO]- 146.08226 137.9
[M+CH3COO]- 160.09791 162.2
[M+Na-2H]- 122.05873 127.6
[M]+ 101.08351 114.6
[M]- 101.08461 114.6
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