CID 14366568

3-cyclopentylisoxazole-5-carbaldehyde

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1CCC(C1)C2=NOC(=C2)C=O
InChI
InChI=1S/C9H11NO2/c11-6-8-5-9(10-12-8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKey
QOCUPJYTQWCSJW-UHFFFAOYSA-N
Compound name
3-cyclopentyl-1,2-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.2
[M+Na]+ 188.06820 140.9
[M-H]- 164.07170 139.2
[M+NH4]+ 183.11280 154.4
[M+K]+ 204.04214 140.6
[M+H-H2O]+ 148.07624 127.1
[M+HCOO]- 210.07718 156.3
[M+CH3COO]- 224.09283 175.0
[M+Na-2H]- 186.05365 137.0
[M]+ 165.07843 132.9
[M]- 165.07953 132.9
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.