CID 82651

2-isopropenyl-2-oxazoline

Structural Information

Molecular Formula
C6H9NO
SMILES
CC(=C)C1=NCCO1
InChI
InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h1,3-4H2,2H3
InChIKey
LPIQIQPLUVLISR-UHFFFAOYSA-N
Compound name
2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

11938
Patents

111.06841 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 120.9
[M+Na]+ 134.05763 128.5
[M-H]- 110.06113 123.6
[M+NH4]+ 129.10223 142.7
[M+K]+ 150.03157 129.2
[M+H-H2O]+ 94.065670 115.3
[M+HCOO]- 156.06661 142.9
[M+CH3COO]- 170.08226 167.3
[M+Na-2H]- 132.04308 127.0
[M]+ 111.06786 120.1
[M]- 111.06896 120.1
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