CID 115094358

1896508-24-9

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CC(C1)C2=CC(=NO2)C=O
InChI
InChI=1S/C8H9NO2/c10-5-7-4-8(11-9-7)6-2-1-3-6/h4-6H,1-3H2
InChIKey
MJBZHEDJMULHPJ-UHFFFAOYSA-N
Compound name
5-cyclobutyl-1,2-oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 121.5
[M+Na]+ 174.052538 128.6
[M-H]- 150.056044 127.6
[M+NH4]+ 169.097143 135.4
[M+K]+ 190.026478 131.5
[M+H-H2O]+ 134.060580 110.8
[M+HCOO]- 196.061521 143.9
[M+CH3COO]- 210.077171 177.0
[M+Na-2H]- 172.037986 128.1
[M]+ 151.06277142 131.2
[M]- 151.06386858 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

No patent data available for this compound.