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

56
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

No literature data available for this compound.

Patent stripe

patents stripe