CID 14366562

121604-55-5

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC(C)CC1=NOC(=C1)C=O
InChI
InChI=1S/C8H11NO2/c1-6(2)3-7-4-8(5-10)11-9-7/h4-6H,3H2,1-2H3
InChIKey
YHRHPINZMZZSEF-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)-1,2-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 130.7
[M+Na]+ 176.068198 139.5
[M-H]- 152.071704 133.9
[M+NH4]+ 171.112803 151.2
[M+K]+ 192.042138 139.8
[M+H-H2O]+ 136.076240 124.9
[M+HCOO]- 198.077181 153.8
[M+CH3COO]- 212.092831 176.1
[M+Na-2H]- 174.053646 136.1
[M]+ 153.07843142 134.0
[M]- 153.07952858 134.0
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.