CID 63773019

3-tert-butyl-1,2,4-oxadiazole-5-carbaldehyde

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC(C)(C)C1=NOC(=N1)C=O
InChI
InChI=1S/C7H10N2O2/c1-7(2,3)6-8-5(4-10)11-9-6/h4H,1-3H3
InChIKey
ZXMHWUNNOCJLSB-UHFFFAOYSA-N
Compound name
3-tert-butyl-1,2,4-oxadiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

154.07423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 130.5
[M+Na]+ 177.06345 140.5
[M-H]- 153.06695 132.7
[M+NH4]+ 172.10805 149.9
[M+K]+ 193.03739 140.9
[M+H-H2O]+ 137.07149 124.6
[M+HCOO]- 199.07243 152.0
[M+CH3COO]- 213.08808 174.6
[M+Na-2H]- 175.04890 138.2
[M]+ 154.07368 134.0
[M]- 154.07478 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

patents stripe