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

1
Patents

165.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.2
[M+Na]+ 188.068198 140.9
[M-H]- 164.071704 139.2
[M+NH4]+ 183.112803 154.4
[M+K]+ 204.042138 140.6
[M+H-H2O]+ 148.076240 127.1
[M+HCOO]- 210.077181 156.3
[M+CH3COO]- 224.092831 175.0
[M+Na-2H]- 186.053646 137.0
[M]+ 165.07843142 132.9
[M]- 165.07952858 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

patents stripe