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
3
Annotation Hits

4
References

10865
Patents

111.06841 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 120.9
[M+Na]+ 134.057628 128.5
[M-H]- 110.061134 123.6
[M+NH4]+ 129.102233 142.7
[M+K]+ 150.031568 129.2
[M+H-H2O]+ 94.065670 115.3
[M+HCOO]- 156.066611 142.9
[M+CH3COO]- 170.082261 167.3
[M+Na-2H]- 132.043076 127.0
[M]+ 111.06786142 120.1
[M]- 111.06895858 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