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

8
Patents

154.07423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 130.5
[M+Na]+ 177.063448 140.5
[M-H]- 153.066954 132.7
[M+NH4]+ 172.108053 149.9
[M+K]+ 193.037388 140.9
[M+H-H2O]+ 137.071490 124.6
[M+HCOO]- 199.072431 152.0
[M+CH3COO]- 213.088081 174.6
[M+Na-2H]- 175.048896 138.2
[M]+ 154.07368142 134.0
[M]- 154.07477858 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