CID 14366563

121604-56-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

153.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 130.2
[M+Na]+ 176.068198 139.8
[M-H]- 152.071704 133.8
[M+NH4]+ 171.112803 151.0
[M+K]+ 192.042138 140.1
[M+H-H2O]+ 136.076240 125.2
[M+HCOO]- 198.077181 152.8
[M+CH3COO]- 212.092831 174.9
[M+Na-2H]- 174.053646 137.7
[M]+ 153.07843142 133.6
[M]- 153.07952858 133.6
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