CID 53654

2,4-dimethyl-3-oxazoline

Structural Information

Molecular Formula
C5H9NO
SMILES
CC1N=C(CO1)C
InChI
InChI=1S/C5H9NO/c1-4-3-7-5(2)6-4/h5H,3H2,1-2H3
InChIKey
XHHACWPFKDHDGD-UHFFFAOYSA-N
Compound name
2,4-dimethyl-2,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

60
Patents

99.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 116.2
[M+Na]+ 122.05763 125.2
[M-H]- 98.061134 119.4
[M+NH4]+ 117.10223 139.0
[M+K]+ 138.03157 126.3
[M+H-H2O]+ 82.065670 111.0
[M+HCOO]- 144.06661 139.3
[M+CH3COO]- 158.08226 165.4
[M+Na-2H]- 120.04308 123.5
[M]+ 99.067861 116.8
[M]- 99.068959 116.8
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