CID 566545

2-isopropyl-2-oxazoline

Structural Information

Molecular Formula
C6H11NO
SMILES
CC(C)C1=NCCO1
InChI
InChI=1S/C6H11NO/c1-5(2)6-7-3-4-8-6/h5H,3-4H2,1-2H3
InChIKey
FVEZUCIZWRDMSJ-UHFFFAOYSA-N
Compound name
2-propan-2-yl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1497
Patents

113.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 122.1
[M+Na]+ 136.07328 129.5
[M-H]- 112.07678 124.9
[M+NH4]+ 131.11788 143.9
[M+K]+ 152.04722 130.7
[M+H-H2O]+ 96.081320 116.4
[M+HCOO]- 158.08226 143.9
[M+CH3COO]- 172.09791 168.2
[M+Na-2H]- 134.05873 128.2
[M]+ 113.08351 122.1
[M]- 113.08461 122.1
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