CID 31492

2,4,5-trimethyl-3-oxazoline

Structural Information

Molecular Formula
C6H11NO
SMILES
CC1C(=NC(O1)C)C
InChI
InChI=1S/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3
InChIKey
YFSGRMONVCFYTC-UHFFFAOYSA-N
Compound name
2,4,5-trimethyl-2,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

124
Patents

113.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 121.0
[M+Na]+ 136.07328 133.2
[M+NH4]+ 131.11788 129.9
[M+K]+ 152.04722 129.7
[M-H]- 112.07678 123.5
[M+Na-2H]- 134.05873 126.0
[M]+ 113.08351 123.4
[M]- 113.08461 123.4
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