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

21
Patents

101.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 119.9
[M+Na]+ 124.073278 125.4
[M-H]- 100.076784 120.7
[M+NH4]+ 119.117883 139.5
[M+K]+ 140.047218 125.8
[M+H-H2O]+ 84.081320 114.2
[M+HCOO]- 146.082261 137.9
[M+CH3COO]- 160.097911 162.2
[M+Na-2H]- 122.058726 127.6
[M]+ 101.08351142 114.6
[M]- 101.08460858 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