CID 14366567

121604-60-2

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CC(C1)C2=NOC(=C2)C=O
InChI
InChI=1S/C8H9NO2/c10-5-7-4-8(9-11-7)6-2-1-3-6/h4-6H,1-3H2
InChIKey
QYGRFWYIAYZBFX-UHFFFAOYSA-N
Compound name
3-cyclobutyl-1,2-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

151.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 121.5
[M+Na]+ 174.05254 128.6
[M-H]- 150.05604 127.6
[M+NH4]+ 169.09714 135.4
[M+K]+ 190.02648 131.5
[M+H-H2O]+ 134.06058 110.8
[M+HCOO]- 196.06152 143.9
[M+CH3COO]- 210.07717 177.0
[M+Na-2H]- 172.03799 128.1
[M]+ 151.06277 131.2
[M]- 151.06387 131.2
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