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]+ 166.08626 126.5
[M+Na]+ 188.06820 134.1
[M-H]- 164.07170 132.9
[M+NH4]+ 183.11280 140.1
[M+K]+ 204.04214 136.7
[M+H-H2O]+ 148.07624 115.9
[M+HCOO]- 210.07718 148.5
[M+CH3COO]- 224.09283 181.0
[M+Na-2H]- 186.05365 131.9
[M]+ 165.07843 136.9
[M]- 165.07953 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.