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

2
Patents

153.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 130.2
[M+Na]+ 176.06820 139.8
[M-H]- 152.07170 133.8
[M+NH4]+ 171.11280 151.0
[M+K]+ 192.04214 140.1
[M+H-H2O]+ 136.07624 125.2
[M+HCOO]- 198.07718 152.8
[M+CH3COO]- 212.09283 174.9
[M+Na-2H]- 174.05365 137.7
[M]+ 153.07843 133.6
[M]- 153.07953 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