CID 14362064

5-cyclopropyl-1,3-oxazole

Structural Information

Molecular Formula
C6H7NO
SMILES
C1CC1C2=CN=CO2
InChI
InChI=1S/C6H7NO/c1-2-5(1)6-3-7-4-8-6/h3-5H,1-2H2
InChIKey
MDZXBEAWTHINOE-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

109.052765 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 122.5
[M+Na]+ 132.04198 136.3
[M+NH4]+ 127.08659 132.3
[M+K]+ 148.01592 133.6
[M-H]- 108.04549 133.1
[M+Na-2H]- 130.02743 132.2
[M]+ 109.05222 128.6
[M]- 109.05331 128.6
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