CID 177798494

3-cyclobutyl-5-methyl-1,2-oxazole-4-carbaldehyde

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=C(C(=NO1)C2CCC2)C=O
InChI
InChI=1S/C9H11NO2/c1-6-8(5-11)9(10-12-6)7-3-2-4-7/h5,7H,2-4H2,1H3
InChIKey
ZYQSQOBWVIEWIR-UHFFFAOYSA-N
Compound name
3-cyclobutyl-5-methyl-1,2-oxazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 126.5
[M+Na]+ 188.068198 134.1
[M-H]- 164.071704 132.9
[M+NH4]+ 183.112803 140.1
[M+K]+ 204.042138 136.7
[M+H-H2O]+ 148.076240 115.9
[M+HCOO]- 210.077181 148.5
[M+CH3COO]- 224.092831 181.0
[M+Na-2H]- 186.053646 131.9
[M]+ 165.07843142 136.9
[M]- 165.07952858 136.9
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.