CID 121630

4,4-dimethyl-2-oxazoline

Structural Information

Molecular Formula
C5H9NO
SMILES
CC1(COC=N1)C
InChI
InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3
InChIKey
KOAMXHRRVFDWRQ-UHFFFAOYSA-N
Compound name
4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

46
References

1506
Patents

99.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 117.0
[M+Na]+ 122.05763 128.7
[M+NH4]+ 117.10223 127.5
[M+K]+ 138.03157 123.4
[M-H]- 98.061134 119.4
[M+Na-2H]- 120.04308 124.2
[M]+ 99.067861 119.4
[M]- 99.068959 119.4
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