CID 90892

23236-41-1

Structural Information

Molecular Formula
C6H11NO
SMILES
CC1C(OC(=N1)C)C
InChI
InChI=1S/C6H11NO/c1-4-5(2)8-6(3)7-4/h4-5H,1-3H3
InChIKey
AOCHNXXMYIQWEH-UHFFFAOYSA-N
Compound name
2,4,5-trimethyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

113.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 120.3
[M+Na]+ 136.07328 129.9
[M-H]- 112.07678 123.8
[M+NH4]+ 131.11788 142.9
[M+K]+ 152.04722 130.6
[M+H-H2O]+ 96.081320 115.3
[M+HCOO]- 158.08226 143.2
[M+CH3COO]- 172.09791 169.6
[M+Na-2H]- 134.05873 126.4
[M]+ 113.08351 121.7
[M]- 113.08461 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

literature stripe

Patent stripe

patents stripe