CID 21116662

23336-75-6

Structural Information

Molecular Formula
C6H11NO
SMILES
C[C@H]1[C@@H](OC(=N1)C)C
InChI
InChI=1S/C6H11NO/c1-4-5(2)8-6(3)7-4/h4-5H,1-3H3/t4-,5-/m0/s1
InChIKey
AOCHNXXMYIQWEH-WHFBIAKZSA-N
Compound name
(4S,5S)-2,4,5-trimethyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

113.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 120.3
[M+Na]+ 136.073278 129.9
[M-H]- 112.076784 123.8
[M+NH4]+ 131.117883 142.9
[M+K]+ 152.047218 130.6
[M+H-H2O]+ 96.081320 115.3
[M+HCOO]- 158.082261 143.2
[M+CH3COO]- 172.097911 169.6
[M+Na-2H]- 134.058726 126.4
[M]+ 113.08351142 121.7
[M]- 113.08460858 121.7
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

No patent data available for this compound.