CID 53403823

2-(tert-butyl)oxazole-5-carbaldehyde

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC(C)(C)C1=NC=C(O1)C=O
InChI
InChI=1S/C8H11NO2/c1-8(2,3)7-9-4-6(5-10)11-7/h4-5H,1-3H3
InChIKey
FWBCZMWPQMIVMH-UHFFFAOYSA-N
Compound name
2-tert-butyl-1,3-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

153.07898 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe